S-isoquinolin-5-yl benzenecarbothioate

Systemtic Name: S-isoquinolin-5-yl benzenecarbothioate Openeye Name: S-(5-isoquinolyl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(5-isoquinolinyl) ester IUPAC Name: S-isoquinolin-5-yl benzenecarbothioate Traditional Name: thiobenzoic acid S-(5-isoquinolyl) ester Formula: C16H11NOS MolecularWeight: 265.32964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C16H11NOS/c18-16(12-5-2-1-3-6-12)19-15-8-4-7-13-11-17-10-9-14(13)15/h1-11H