2-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4,6-trimethyl-phenyl]methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4,6-trimethyl-phenyl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4,6-trimethyl-phenyl]methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[3-[(1,3-benzothiazol-2-ylthio)methyl]-2,4,6-trimethylphenyl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4,6-trimethylphenyl]methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[3-[(1,3-benzothiazol-2-ylthio)methyl]-2,4,6-trimethyl-benzyl]thio]-1,3-benzothiazole Formula: C25H22N2S4 MolecularWeight: 478.71558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CSC2=NC3=CC=CC=C3S2)C)CSC4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=CC(=C(C(=C1CSC2=NC3=CC=CC=C3S2)C)CSC4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C25H22N2S4/c1-15-12-16(2)19(14-29-25-27-21-9-5-7-11-23(21)31-25)17(3)18(15)13-28-24-26-20-8-4-6-10-22(20)30-24/h4-12H,13-14H2,1-3H3