S-[2-(4-fluorophenyl)-2-oxidanylidene-1-pyridin-4-yl-ethyl] 4-methylbenzenecarbothioate

Systemtic Name: S-[2-(4-fluorophenyl)-2-oxidanylidene-1-pyridin-4-yl-ethyl] 4-methylbenzenecarbothioate Openeye Name: S-[2-(4-fluorophenyl)-2-oxo-1-(4-pyridyl)ethyl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-[2-(4-fluorophenyl)-2-oxo-1-pyridin-4-ylethyl] ester IUPAC Name: S-[2-(4-fluorophenyl)-2-oxo-1-pyridin-4-ylethyl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-[2-(4-fluorophenyl)-2-keto-1-(4-pyridyl)ethyl] ester Formula: C21H16FNO2S MolecularWeight: 365.420643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC(C2=CC=NC=C2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC(C2=CC=NC=C2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H16FNO2S/c1-14-2-4-17(5-3-14)21(25)26-20(16-10-12-23-13-11-16)19(24)15-6-8-18(22)9-7-15/h2-13,20H,1H3