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

Systemtic Name: N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]butanamide Openeye Name: N-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioyl]butanamide CAS Name: N-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]butanamide Traditional Name: N-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoyl]butyramide Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCCC(=O)NC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C16H20N4O2S/c1-4-8-13(21)17-16(23)18-14-11(2)19(3)20(15(14)22)12-9-6-5-7-10-12/h5-7,9-10H,4,8H2,1-3H3,(H2,17,18,21,23)