N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(1,2,4-triazol-1-yl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

CSCC[C@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C20H20N6OS/c1-28-11-10-18(19-23-16-4-2-3-5-17(16)24-19)25-20(27)14-6-8-15(9-7-14)26-13-21-12-22-26/h2-9,12-13,18H,10-11H2,1H3,(H,23,24)(H,25,27)/t18-/m1/s1