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

Systemtic Name: N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoyl]-3-nitro-benzamide Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O4S/c1-12-16(18(26)23(22(12)2)14-8-4-3-5-9-14)20-19(29)21-17(25)13-7-6-10-15(11-13)24(27)28/h3-11H,1-2H3,(H2,20,21,25,29)