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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4-fluoranyl-2-nitro-phenyl)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(4-fluoro-2-nitro-phenyl)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(4-fluoro-2-nitrophenyl)thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-fluoro-2-nitrophenyl)thiourea Traditional Name: 1-(4-fluoro-2-nitro-phenyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C18H16FN5O3S MolecularWeight: 401.414743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16FN5O3S/c1-11-16(17(25)23(22(11)2)13-6-4-3-5-7-13)21-18(28)20-14-9-8-12(19)10-15(14)24(26)27/h3-10H,1-2H3,(H2,20,21,28)