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

Systemtic Name: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-methyl-1-(4-nitrophenyl)thiourea Openeye Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-methyl-1-(4-nitrophenyl)thiourea CAS Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-methyl-1-(4-nitrophenyl)thiourea IUPAC Name: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-(4-nitrophenyl)thiourea Traditional Name: 3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1-methyl-1-(4-nitrophenyl)thiourea Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O3S/c1-13-17(18(25)23(22(13)3)15-7-5-4-6-8-15)20-19(28)21(2)14-9-11-16(12-10-14)24(26)27/h4-12H,1-3H3,(H,20,28)