1-(2,4-dimethyl-5-nitro-phenyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-(2,4-dimethyl-5-nitro-phenyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-(2,4-dimethyl-5-nitro-phenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-(2,4-dimethyl-5-nitrophenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-(2,4-dimethyl-5-nitrophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-(2,4-dimethyl-5-nitro-phenyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N5O3S/c1-12-10-13(2)17(25(27)28)11-16(12)21-20(29)22-18-14(3)23(4)24(19(18)26)15-8-6-5-7-9-15/h5-11H,1-4H3,(H2,21,22,29)