1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfanyl-3-[(E)-(4-nitrophenyl)methylideneamino]urea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfanyl-3-[(E)-(4-nitrophenyl)methylideneamino]urea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfanyl-3-[(E)-(4-nitrophenyl)methyleneamino]urea CAS Name: 1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thio]-3-[(E)-(4-nitrophenyl)methylideneamino]urea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfanyl-3-[(E)-(4-nitrophenyl)methylideneamino]urea Traditional Name: 1-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thio]-3-[(E)-(4-nitrobenzylidene)amino]urea Formula: C19H18N6O4S MolecularWeight: 426.44902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)SNC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)SNC(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O4S/c1-13-17(18(26)24(23(13)2)15-6-4-3-5-7-15)30-22-19(27)21-20-12-14-8-10-16(11-9-14)25(28)29/h3-12H,1-2H3,(H2,21,22,27)/b20-12+