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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbothioylcyclopropanecarboxamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazole-4-carbothioyl)cyclopropanecarboxamide CAS Name: N-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-sulfanylidenemethyl]cyclopropanecarboxamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazoline-4-carbothioyl)cyclopropanecarboxamide Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=S)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=S)NC(=O)C3CC3

InChI

InChI=1S/C16H17N3O2S/c1-10-13(15(22)17-14(20)11-8-9-11)16(21)19(18(10)2)12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3,(H,17,20,22)