1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiourea Traditional Name: 1-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C24H22FN5O3S2 MolecularWeight: 511.591583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H22FN5O3S2/c1-16-22(23(31)30(29(16)2)18-8-4-3-5-9-18)27-24(34)26-20-10-6-7-11-21(20)28-35(32,33)19-14-12-17(25)13-15-19/h3-15,28H,1-2H3,(H2,26,27,34)