4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]benzamide Formula: C25H22N6OS MolecularWeight: 454.54678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)CN5C=NC=N5

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)CN5C=NC=N5

InChI

InChI=1S/C25H22N6OS/c32-24(27-13-20-5-1-2-6-21(20)14-31-17-26-16-28-31)19-11-9-18(10-12-19)15-33-25-29-22-7-3-4-8-23(22)30-25/h1-12,16-17H,13-15H2,(H,27,32)(H,29,30)