(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-quinolin-2-ylsulfanyl-propanamide

Systemtic Name: (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-quinolin-2-ylsulfanyl-propanamide Openeye Name: (2S)-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]-2-(2-quinolylsulfanyl)propanamide CAS Name: (2S)-N-[2-[(2S)-butan-2-yl]-3-pyrazolyl]-2-(2-quinolinylthio)propanamide IUPAC Name: (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-quinolin-2-ylsulfanylpropanamide Traditional Name: (2S)-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]-2-(2-quinolylthio)propionamide Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=CC=N1)NC(=O)C(C)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC[C@H](C)N1C(=CC=N1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H22N4OS/c1-4-13(2)23-17(11-12-20-23)22-19(24)14(3)25-18-10-9-15-7-5-6-8-16(15)21-18/h5-14H,4H2,1-3H3,(H,22,24)/t13-,14-/m0/s1