S-phenyl 2-(4-methylphenyl)carbonylbenzenecarbothioate

Systemtic Name: S-phenyl 2-(4-methylphenyl)carbonylbenzenecarbothioate Openeye Name: S-phenyl 2-(4-methylbenzoyl)benzenecarbothioate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzenecarbothioic acid S-phenyl ester IUPAC Name: S-phenyl 2-(4-methylbenzoyl)benzenecarbothioate Traditional Name: 2-p-toluoylthiobenzoic acid S-phenyl ester Formula: C21H16O2S MolecularWeight: 332.41554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)SC3=CC=CC=C3

InChI

InChI=1S/C21H16O2S/c1-15-11-13-16(14-12-15)20(22)18-9-5-6-10-19(18)21(23)24-17-7-3-2-4-8-17/h2-14H,1H3