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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=N/NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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