1-(1,3-benzothiazol-2-yl)-5-[[6-[1,3-benzothiazol-2-yl-(2,6-diethyl-4-methyl-phenyl)amino]-2-[(2,6-diethyl-4-methyl-phenyl)amino]-4-methyl-pyridin-3-yl]diazenyl]-3-tert-butyl-pyrazole-4-carbonitrile

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-5-[[6-[1,3-benzothiazol-2-yl-(2,6-diethyl-4-methyl-phenyl)amino]-2-[(2,6-diethyl-4-methyl-phenyl)amino]-4-methyl-pyridin-3-yl]diazenyl]-3-tert-butyl-pyrazole-4-carbonitrile Openeye Name: 1-(1,3-benzothiazol-2-yl)-5-[[6-[N-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-methyl-anilino]-2-(2,6-diethyl-4-methyl-anilino)-4-methyl-3-pyridyl]azo]-3-tert-butyl-pyrazole-4-carbonitrile CAS Name: 1-(1,3-benzothiazol-2-yl)-5-[[6-[N-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-methylanilino]-2-(2,6-diethyl-4-methylanilino)-4-methyl-3-pyridinyl]azo]-3-tert-butyl-4-pyrazolecarbonitrile IUPAC Name: 1-(1,3-benzothiazol-2-yl)-5-[[6-[N-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-methylanilino]-2-(2,6-diethyl-4-methylanilino)-4-methylpyridin-3-yl]diazenyl]-3-tert-butylpyrazole-4-carbonitrile Traditional Name: 1-(1,3-benzothiazol-2-yl)-5-[[6-[N-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-methyl-anilino]-2-(2,6-diethyl-4-methyl-anilino)-4-methyl-3-pyridyl]azo]-3-tert-butyl-pyrazole-4-carbonitrile Formula: C50H52N10S2 MolecularWeight: 857.14488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1NC2=C(C(=CC(=N2)N(C3=C(C=C(C=C3CC)C)CC)C4=NC5=CC=CC=C5S4)C)N=NC6=C(C(=NN6C7=NC8=CC=CC=C8S7)C(C)(C)C)C#N)CC)C

Isomeric SMILES

CCC1=CC(=CC(=C1NC2=C(C(=CC(=N2)N(C3=C(C=C(C=C3CC)C)CC)C4=NC5=CC=CC=C5S4)C)N=NC6=C(C(=NN6C7=NC8=CC=CC=C8S7)C(C)(C)C)C#N)CC)C

InChI

InChI=1S/C50H52N10S2/c1-11-32-23-29(5)24-33(12-2)43(32)55-46-42(56-57-47-36(28-51)45(50(8,9)10)58-60(47)49-53-38-20-16-18-22-40(38)62-49)31(7)27-41(54-46)59(48-52-37-19-15-17-21-39(37)61-48)44-34(13-3)25-30(6)26-35(44)14-4/h15-27H,11-14H2,1-10H3,(H,54,55)