4-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]aniline

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CC=C(C=C4)N

Isomeric SMILES

CN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CC=C(C=C4)N

InChI

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