1-[(3,4-dichlorophenyl)methyl]-3-(phenylmethylsulfanyl)indole-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-3-(phenylmethylsulfanyl)indole-2-carboxylic acid Openeye Name: 3-benzylsulfanyl-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-3-(phenylmethylthio)-2-indolecarboxylic acid IUPAC Name: 3-benzylsulfanyl-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-(benzylthio)-1-(3,4-dichlorobenzyl)indole-2-carboxylic acid Formula: C23H17Cl2NO2S MolecularWeight: 442.35758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(N(C3=CC=CC=C32)CC4=CC(=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(N(C3=CC=CC=C32)CC4=CC(=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C23H17Cl2NO2S/c24-18-11-10-16(12-19(18)25)13-26-20-9-5-4-8-17(20)22(21(26)23(27)28)29-14-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,27,28)