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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(5-methoxy-2-methyl-4-nitro-phenyl)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(5-methoxy-2-methyl-4-nitro-phenyl)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(5-methoxy-2-methyl-4-nitrophenyl)thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(5-methoxy-2-methyl-4-nitrophenyl)thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(5-methoxy-2-methyl-4-nitro-phenyl)thiourea Formula: C20H21N5O4S MolecularWeight: 427.47684

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4S/c1-12-10-16(25(27)28)17(29-4)11-15(12)21-20(30)22-18-13(2)23(3)24(19(18)26)14-8-6-5-7-9-14/h5-11H,1-4H3,(H2,21,22,30)