N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide CAS Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-4-triazolecarboxamide IUPAC Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide Traditional Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-5-methyl-1-(3-phenylanthranil-5-yl)triazole-4-carboxamide Formula: C23H21N7O2S2 MolecularWeight: 491.58854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC(=O)C2=C(N(N=N2)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5)C

Isomeric SMILES

CCCCSC1=NN=C(S1)NC(=O)C2=C(N(N=N2)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5)C

InChI

InChI=1S/C23H21N7O2S2/c1-3-4-12-33-23-27-26-22(34-23)24-21(31)19-14(2)30(29-25-19)16-10-11-18-17(13-16)20(32-28-18)15-8-6-5-7-9-15/h5-11,13H,3-4,12H2,1-2H3,(H,24,26,31)