2-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-methylsulfanyl-butanamide

Systemtic Name: 2-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-methylsulfanyl-butanamide Openeye Name: 2-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-methylsulfanyl-butanamide CAS Name: 2-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-(methylthio)butanamide IUPAC Name: 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylsulfanylbutanamide Traditional Name: 2-amino-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-(methylthio)butyramide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(CCSC)N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(CCSC)N

InChI

InChI=1S/C16H22N4O2S/c1-11-14(18-15(21)13(17)9-10-23-3)16(22)20(19(11)2)12-7-5-4-6-8-12/h4-8,13H,9-10,17H2,1-3H3,(H,18,21)