[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C24H18FNO3S MolecularWeight: 419.468023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H18FNO3S/c25-19-13-11-17(12-14-19)21(27)8-5-15-29-24(28)20-7-2-4-10-23(20)30-22-9-3-1-6-18(22)16-26/h1-4,6-7,9-14H,5,8,15H2