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

Systemtic Name: N-[(1,2-dimethyl-3-oxidanylidene-5-phenyl-pyrazol-4-yl)carbamothioyl]-4-methyl-benzamide Openeye Name: N-[(1,2-dimethyl-3-oxo-5-phenyl-pyrazol-4-yl)carbamothioyl]-4-methyl-benzamide CAS Name: N-[[(1,2-dimethyl-3-oxo-5-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[(1,2-dimethyl-3-oxo-5-phenylpyrazol-4-yl)carbamothioyl]-4-methylbenzamide Traditional Name: N-[(3-keto-1,2-dimethyl-5-phenyl-3-pyrazolin-4-yl)thiocarbamoyl]-4-methyl-benzamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(N(N(C2=O)C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(N(N(C2=O)C)C)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O2S/c1-13-9-11-15(12-10-13)18(25)22-20(27)21-16-17(14-7-5-4-6-8-14)23(2)24(3)19(16)26/h4-12H,1-3H3,(H2,21,22,25,27)