N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-methyl-pyrazole-4-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-methylpyrazole-4-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-methyl-pyrazole-4-carboxamide Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CN1C=C(C=N1)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C16H19N5OS/c1-21-10-11(9-17-21)16(22)20-14(7-8-23-2)15-18-12-5-3-4-6-13(12)19-15/h3-6,9-10,14H,7-8H2,1-2H3,(H,18,19)(H,20,22)/t14-/m0/s1