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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(E)-(3-nitrophenyl)methylideneamino]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(E)-(3-nitrophenyl)methyleneamino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(E)-(3-nitrophenyl)methylideneamino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(E)-(3-nitrophenyl)methylideneamino]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[(E)-(3-nitrobenzylidene)amino]thiourea Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O3S/c1-13-17(18(26)24(23(13)2)15-8-4-3-5-9-15)21-19(29)22-20-12-14-7-6-10-16(11-14)25(27)28/h3-12H,1-2H3,(H2,21,22,29)/b20-12+