S-phenyl 3,3-diphenyloxirane-2-carbothioate

Systemtic Name: S-phenyl 3,3-diphenyloxirane-2-carbothioate Openeye Name: S-phenyl 3,3-diphenyloxirane-2-carbothioate CAS Name: 3,3-diphenyl-2-oxiranecarbothioic acid S-phenyl ester IUPAC Name: S-phenyl 3,3-diphenyloxirane-2-carbothioate Traditional Name: 3,3-diphenyloxirane-2-carbothioic acid S-phenyl ester Formula: C21H16O2S MolecularWeight: 332.41554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C(O2)C(=O)SC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2(C(O2)C(=O)SC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H16O2S/c22-20(24-18-14-8-3-9-15-18)19-21(23-19,16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H