1-(2-chlorophenyl)sulfanylisoquinoline-3-carboxylic acid

Systemtic Name: 1-(2-chlorophenyl)sulfanylisoquinoline-3-carboxylic acid Openeye Name: 1-(2-chlorophenyl)sulfanylisoquinoline-3-carboxylic acid CAS Name: 1-[(2-chlorophenyl)thio]-3-isoquinolinecarboxylic acid IUPAC Name: 1-(2-chlorophenyl)sulfanylisoquinoline-3-carboxylic acid Traditional Name: 1-[(2-chlorophenyl)thio]isoquinoline-3-carboxylic acid Formula: C16H10ClNO2S MolecularWeight: 315.7741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2SC3=CC=CC=C3Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2SC3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C16H10ClNO2S/c17-12-7-3-4-8-14(12)21-15-11-6-2-1-5-10(11)9-13(18-15)16(19)20/h1-9H,(H,19,20)