N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-phenyl-triazole-4-carboxamide CAS Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenyltriazole-4-carboxamide Traditional Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-phenyl-triazole-4-carboxamide Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=NN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CSCC[C@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=NN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H20N6OS/c1-28-12-11-17(19-22-15-9-5-6-10-16(15)23-19)24-20(27)18-13-21-26(25-18)14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3,(H,22,23)(H,24,27)/t17-/m1/s1