3-(4-chlorophenyl)-4-methylsulfanyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-(4-chlorophenyl)-4-methylsulfanyl-1H-indole-2-carboxylic acid Openeye Name: 3-(4-chlorophenyl)-4-methylsulfanyl-1H-indole-2-carboxylic acid CAS Name: 3-(4-chlorophenyl)-4-(methylthio)-1H-indole-2-carboxylic acid IUPAC Name: 3-(4-chlorophenyl)-4-methylsulfanyl-1H-indole-2-carboxylic acid Traditional Name: 3-(4-chlorophenyl)-4-(methylthio)-1H-indole-2-carboxylic acid Formula: C16H12ClNO2S MolecularWeight: 317.78998

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1C(=C(N2)C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=CC=CC2=C1C(=C(N2)C(=O)O)C3=CC=C(C=C3)Cl

InChI

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