5-chloranyl-1-[(4-chlorophenyl)methyl]-3-phenylsulfanyl-indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-1-[(4-chlorophenyl)methyl]-3-phenylsulfanyl-indole-2-carboxylic acid Openeye Name: 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanyl-indole-2-carboxylic acid CAS Name: 5-chloro-1-[(4-chlorophenyl)methyl]-3-(phenylthio)-2-indolecarboxylic acid IUPAC Name: 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylsulfanylindole-2-carboxylic acid Traditional Name: 5-chloro-1-(4-chlorobenzyl)-3-(phenylthio)indole-2-carboxylic acid Formula: C22H15Cl2NO2S MolecularWeight: 428.331

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(N(C3=C2C=C(C=C3)Cl)CC4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(N(C3=C2C=C(C=C3)Cl)CC4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C22H15Cl2NO2S/c23-15-8-6-14(7-9-15)13-25-19-11-10-16(24)12-18(19)21(20(25)22(26)27)28-17-4-2-1-3-5-17/h1-12H,13H2,(H,26,27)