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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea Formula: C20H20N6O3S MolecularWeight: 424.4762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O3S/c1-13(15-8-7-11-17(12-15)26(28)29)22-23-20(30)21-18-14(2)24(3)25(19(18)27)16-9-5-4-6-10-16/h4-12H,1-3H3,(H2,21,23,30)/b22-13-