1-(4-chlorophenyl)sulfanylisoquinoline-3-carboxylic acid

Systemtic Name: 1-(4-chlorophenyl)sulfanylisoquinoline-3-carboxylic acid Openeye Name: 1-(4-chlorophenyl)sulfanylisoquinoline-3-carboxylic acid CAS Name: 1-[(4-chlorophenyl)thio]-3-isoquinolinecarboxylic acid IUPAC Name: 1-(4-chlorophenyl)sulfanylisoquinoline-3-carboxylic acid Traditional Name: 1-[(4-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=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2SC3=CC=C(C=C3)Cl)C(=O)O

InChI

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