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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbothioylbenzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazole-4-carbothioyl)benzamide CAS Name: N-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-sulfanylidenemethyl]benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)benzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazoline-4-carbothioyl)benzamide Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O2S/c1-13-16(18(25)20-17(23)14-9-5-3-6-10-14)19(24)22(21(13)2)15-11-7-4-8-12-15/h3-12H,1-2H3,(H,20,23,25)