3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(4-chlorophenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(4-chlorophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(4-chlorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-(1H-benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(4-chlorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(1H-benzimidazol-2-ylmethylthio)-5-(4-chlorophenyl)-1,2,4-triazol-4-yl]amine Formula: C16H13ClN6S MolecularWeight: 356.83262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C16H13ClN6S/c17-11-7-5-10(6-8-11)15-21-22-16(23(15)18)24-9-14-19-12-3-1-2-4-13(12)20-14/h1-8H,9,18H2,(H,19,20)