2-[4-[[3-(8-chloranyl-3-methyl-cinnolin-4-yl)phenyl]sulfanylmethyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[3-(8-chloranyl-3-methyl-cinnolin-4-yl)phenyl]sulfanylmethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[3-(8-chloro-3-methyl-cinnolin-4-yl)phenyl]sulfanylmethyl]phenyl]acetic acid CAS Name: 2-[4-[[[3-(8-chloro-3-methyl-4-cinnolinyl)phenyl]thio]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[[3-(8-chloro-3-methylcinnolin-4-yl)phenyl]sulfanylmethyl]phenyl]acetic acid Traditional Name: 2-[4-[[[3-(8-chloro-3-methyl-cinnolin-4-yl)phenyl]thio]methyl]phenyl]acetic acid Formula: C24H19ClN2O2S MolecularWeight: 434.93786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2C(=C1C3=CC(=CC=C3)SCC4=CC=C(C=C4)CC(=O)O)C=CC=C2Cl

Isomeric SMILES

CC1=NN=C2C(=C1C3=CC(=CC=C3)SCC4=CC=C(C=C4)CC(=O)O)C=CC=C2Cl

InChI

InChI=1S/C24H19ClN2O2S/c1-15-23(20-6-3-7-21(25)24(20)27-26-15)18-4-2-5-19(13-18)30-14-17-10-8-16(9-11-17)12-22(28)29/h2-11,13H,12,14H2,1H3,(H,28,29)