2-[3-(4-cyanophenyl)sulfanyl-2,5-dimethyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-cyanophenyl)sulfanyl-2,5-dimethyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-cyanophenyl)sulfanyl-2,5-dimethyl-indol-1-yl]acetic acid CAS Name: 2-[3-[(4-cyanophenyl)thio]-2,5-dimethyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(4-cyanophenyl)sulfanyl-2,5-dimethylindol-1-yl]acetic acid Traditional Name: 2-[3-[(4-cyanophenyl)thio]-2,5-dimethyl-indol-1-yl]acetic acid Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2SC3=CC=C(C=C3)C#N)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2SC3=CC=C(C=C3)C#N)C)CC(=O)O

InChI

InChI=1S/C19H16N2O2S/c1-12-3-8-17-16(9-12)19(13(2)21(17)11-18(22)23)24-15-6-4-14(10-20)5-7-15/h3-9H,11H2,1-2H3,(H,22,23)