N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-methyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-methyl-2-phenyltriazole-4-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)C4=CC=CC=C4

InChI

InChI=1S/C21H22N6OS/c1-14-19(26-27(25-14)15-8-4-3-5-9-15)21(28)24-18(12-13-29-2)20-22-16-10-6-7-11-17(16)23-20/h3-11,18H,12-13H2,1-2H3,(H,22,23)(H,24,28)/t18-/m0/s1