2-[[5-[4-(1H-benzimidazol-2-yl)butyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-[4-(1H-benzimidazol-2-yl)butyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[4-(1H-benzimidazol-2-yl)butyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[4-(1H-benzimidazol-2-yl)butyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[4-(1H-benzimidazol-2-yl)butyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-[4-(1H-benzimidazol-2-yl)butyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C27H25N5OS MolecularWeight: 467.5853

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C27H25N5OS/c33-24(20-11-3-1-4-12-20)19-34-27-31-30-26(32(27)21-13-5-2-6-14-21)18-10-9-17-25-28-22-15-7-8-16-23(22)29-25/h1-8,11-16H,9-10,17-19H2,(H,28,29)