3-[2-[(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetyl]amino]benzoic acid Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C3=NN=C(N23)SCC(=O)NC4=CC=CC(=C4)C(=O)O)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C3=NN=C(N23)SCC(=O)NC4=CC=CC(=C4)C(=O)O)C)C

InChI

InChI=1S/C22H20N4O3S/c1-12-7-13(2)19-16(8-12)9-14(3)20-24-25-22(26(19)20)30-11-18(27)23-17-6-4-5-15(10-17)21(28)29/h4-10H,11H2,1-3H3,(H,23,27)(H,28,29)