S-(2-pyrrol-1-ylphenyl) benzenecarbothioate

Systemtic Name: S-(2-pyrrol-1-ylphenyl) benzenecarbothioate Openeye Name: S-(2-pyrrol-1-ylphenyl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-(1-pyrrolyl)phenyl] ester IUPAC Name: S-(2-pyrrol-1-ylphenyl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(2-pyrrol-1-ylphenyl) ester Formula: C17H13NOS MolecularWeight: 279.35622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SC2=CC=CC=C2N3C=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SC2=CC=CC=C2N3C=CC=C3

InChI

InChI=1S/C17H13NOS/c19-17(14-8-2-1-3-9-14)20-16-11-5-4-10-15(16)18-12-6-7-13-18/h1-13H