N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbothioylbutanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbothioylbutanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazole-4-carbothioyl)butanamide CAS Name: N-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-sulfanylidenemethyl]butanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)butanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazoline-4-carbothioyl)butyramide Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2S/c1-4-8-13(20)17-15(22)14-11(2)18(3)19(16(14)21)12-9-6-5-7-10-12/h5-7,9-10H,4,8H2,1-3H3,(H,17,20,22)