(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide

Systemtic Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide Openeye Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]propanamide CAS Name: (2R)-2-(1H-benzimidazol-2-ylthio)-N-[2-[(2S)-butan-2-yl]-3-pyrazolyl]propanamide IUPAC Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide Traditional Name: (2R)-2-(1H-benzimidazol-2-ylthio)-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]propionamide Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=CC=N1)NC(=O)C(C)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC[C@H](C)N1C(=CC=N1)NC(=O)[C@@H](C)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H21N5OS/c1-4-11(2)22-15(9-10-18-22)21-16(23)12(3)24-17-19-13-7-5-6-8-14(13)20-17/h5-12H,4H2,1-3H3,(H,19,20)(H,21,23)/t11-,12+/m0/s1