(2S)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(1-methyl-2-imidazolyl)thio]propanamide IUPAC Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[(1-methylimidazol-2-yl)thio]propionamide Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NC=CN3C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)SC3=NC=CN3C

InChI

InChI=1S/C18H21N5O2S/c1-12-15(17(25)23(22(12)4)14-8-6-5-7-9-14)20-16(24)13(2)26-18-19-10-11-21(18)3/h5-11,13H,1-4H3,(H,20,24)/t13-/m0/s1