5-chloranyl-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-(p-tolylsulfanyl)-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[(4-methylphenyl)thio]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-(p-tolylthio)-1H-indole-2-carboxylic acid Formula: C16H12ClNO2S MolecularWeight: 317.78998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C16H12ClNO2S/c1-9-2-5-11(6-3-9)21-15-12-8-10(17)4-7-13(12)18-14(15)16(19)20/h2-8,18H,1H3,(H,19,20)