(2S)-2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide

Systemtic Name: (2S)-2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: (2S)-2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: (2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: (2S)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: (2S)-2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SCC(=O)NC3CC3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)SCC(=O)NC3CC3

InChI

InChI=1S/C19H24N4O3S/c1-12-17(19(26)23(22(12)3)15-7-5-4-6-8-15)21-18(25)13(2)27-11-16(24)20-14-9-10-14/h4-8,13-14H,9-11H2,1-3H3,(H,20,24)(H,21,25)/t13-/m0/s1