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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(2-fluoranyl-5-nitro-phenyl)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(2-fluoro-5-nitro-phenyl)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(2-fluoro-5-nitrophenyl)thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-fluoro-5-nitrophenyl)thiourea Traditional Name: 1-(2-fluoro-5-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=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

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

InChI

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