N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoyl]-3-methyl-butyramide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S/c1-11(2)10-14(22)18-17(24)19-15-12(3)20(4)21(16(15)23)13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3,(H2,18,19,22,24)