(2S)-2-(4-acetamidophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide

Systemtic Name: (2S)-2-(4-acetamidophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide Openeye Name: (2S)-2-(4-acetamidophenyl)sulfanyl-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]propanamide CAS Name: (2S)-2-[(4-acetamidophenyl)thio]-N-[2-[(2S)-butan-2-yl]-3-pyrazolyl]propanamide IUPAC Name: (2S)-2-(4-acetamidophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide Traditional Name: (2S)-2-[(4-acetamidophenyl)thio]-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]propionamide Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=CC=N1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC[C@H](C)N1C(=CC=N1)NC(=O)[C@H](C)SC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C18H24N4O2S/c1-5-12(2)22-17(10-11-19-22)21-18(24)13(3)25-16-8-6-15(7-9-16)20-14(4)23/h6-13H,5H2,1-4H3,(H,20,23)(H,21,24)/t12-,13-/m0/s1