[(E)-[3-(4-fluorophenyl)sulfanyl-5-methyl-2-phenyl-3,4-dihydropyrazol-4-yl]methylideneamino] benzoate

Systemtic Name: [(E)-[3-(4-fluorophenyl)sulfanyl-5-methyl-2-phenyl-3,4-dihydropyrazol-4-yl]methylideneamino] benzoate Openeye Name: [(E)-[3-(4-fluorophenyl)sulfanyl-5-methyl-2-phenyl-3,4-dihydropyrazol-4-yl]methyleneamino] benzoate CAS Name: benzoic acid [(E)-[3-[(4-fluorophenyl)thio]-5-methyl-2-phenyl-3,4-dihydropyrazol-4-yl]methylideneamino] ester IUPAC Name: [(E)-[3-(4-fluorophenyl)sulfanyl-5-methyl-2-phenyl-3,4-dihydropyrazol-4-yl]methylideneamino] benzoate Traditional Name: benzoic acid [(E)-[5-[(4-fluorophenyl)thio]-3-methyl-1-phenyl-2-pyrazolin-4-yl]methyleneamino] ester Formula: C24H20FN3O2S MolecularWeight: 433.497903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1C=NOC(=O)C2=CC=CC=C2)SC3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(C1/C=N/OC(=O)C2=CC=CC=C2)SC3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C24H20FN3O2S/c1-17-22(16-26-30-24(29)18-8-4-2-5-9-18)23(31-21-14-12-19(25)13-15-21)28(27-17)20-10-6-3-7-11-20/h2-16,22-23H,1H3/b26-16+