4-chloranyl-N-[(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)carbothioyl]benzamide

Systemtic Name: 4-chloranyl-N-[(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)carbothioyl]benzamide Openeye Name: 4-chloro-N-(3-methyl-5-oxo-4H-pyrazole-1-carbothioyl)benzamide CAS Name: 4-chloro-N-[(3-methyl-5-oxo-4H-pyrazol-1-yl)-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-(3-methyl-5-oxo-4H-pyrazole-1-carbothioyl)benzamide Traditional Name: 4-chloro-N-(5-keto-3-methyl-2-pyrazoline-1-carbothioyl)benzamide Formula: C12H10ClN3O2S MolecularWeight: 295.7447

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C(=S)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=NN(C(=O)C1)C(=S)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H10ClN3O2S/c1-7-6-10(17)16(15-7)12(19)14-11(18)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,14,18,19)