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

Systemtic Name: N-[[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: N-[[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline CAS Name: N-[[5-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: N-[[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline Traditional Name: [5-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl-phenyl-amine Formula: C23H20N6S MolecularWeight: 412.5101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H20N6S/c1-3-9-17(10-4-1)24-15-22-27-28-23(29(22)18-11-5-2-6-12-18)30-16-21-25-19-13-7-8-14-20(19)26-21/h1-14,24H,15-16H2,(H,25,26)