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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3S/c1-12-9-10-14(11-16(12)24(26)27)20-19(28)21-17-13(2)22(3)23(18(17)25)15-7-5-4-6-8-15/h4-11H,1-3H3,(H2,20,21,28)