4-[2-[5-chloranyl-1-(diphenylmethyl)-2-methyl-indol-3-yl]ethylsulfanyl]benzoic acid

Systemtic Name: 4-[2-[5-chloranyl-1-(diphenylmethyl)-2-methyl-indol-3-yl]ethylsulfanyl]benzoic acid Openeye Name: 4-[2-(1-benzhydryl-5-chloro-2-methyl-indol-3-yl)ethylsulfanyl]benzoic acid CAS Name: 4-[2-[5-chloro-1-(diphenylmethyl)-2-methyl-3-indolyl]ethylthio]benzoic acid IUPAC Name: 4-[2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)ethylsulfanyl]benzoic acid Traditional Name: 4-[2-(1-benzhydryl-5-chloro-2-methyl-indol-3-yl)ethylthio]benzoic acid Formula: C31H26ClNO2S MolecularWeight: 512.06164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=C2)Cl)CCSC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=C2)Cl)CCSC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C31H26ClNO2S/c1-21-27(18-19-36-26-15-12-24(13-16-26)31(34)35)28-20-25(32)14-17-29(28)33(21)30(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-17,20,30H,18-19H2,1H3,(H,34,35)