1-phenylsulfanylisoquinoline-3-carboxylic acid

Systemtic Name: 1-phenylsulfanylisoquinoline-3-carboxylic acid Openeye Name: 1-phenylsulfanylisoquinoline-3-carboxylic acid CAS Name: 1-(phenylthio)-3-isoquinolinecarboxylic acid IUPAC Name: 1-phenylsulfanylisoquinoline-3-carboxylic acid Traditional Name: 1-(phenylthio)isoquinoline-3-carboxylic acid Formula: C16H11NO2S MolecularWeight: 281.32904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H11NO2S/c18-16(19)14-10-11-6-4-5-9-13(11)15(17-14)20-12-7-2-1-3-8-12/h1-10H,(H,18,19)