2-[[5-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)ethanamide

Systemtic Name: 2-[[5-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)ethanamide Openeye Name: 2-[[5-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)acetamide CAS Name: 2-[[5-[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-cyanophenyl)acetamide IUPAC Name: 2-[[5-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)acetamide Traditional Name: 2-[[5-[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-cyanophenyl)acetamide Formula: C31H22N6OS3 MolecularWeight: 590.74098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C#N)C4=CC=C(C=C4)CSC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C#N)C4=CC=C(C=C4)CSC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C31H22N6OS3/c32-18-22-7-6-8-24(17-22)33-28(38)20-39-30-36-35-29(37(30)25-9-2-1-3-10-25)23-15-13-21(14-16-23)19-40-31-34-26-11-4-5-12-27(26)41-31/h1-17H,19-20H2,(H,33,38)