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

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(4-methylphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(p-tolyl)-1,2,4-triazol-4-amine CAS Name: 3-(1H-benzimidazol-2-ylmethylthio)-5-(4-methylphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(4-methylphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(1H-benzimidazol-2-ylmethylthio)-5-(p-tolyl)-1,2,4-triazol-4-yl]amine Formula: C17H16N6S MolecularWeight: 336.41414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H16N6S/c1-11-6-8-12(9-7-11)16-21-22-17(23(16)18)24-10-15-19-13-4-2-3-5-14(13)20-15/h2-9H,10,18H2,1H3,(H,19,20)