4-[[[2-[3-(3-methylsulfanylphenyl)prop-1-ynyl]pyridin-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[2-[3-(3-methylsulfanylphenyl)prop-1-ynyl]pyridin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[3-(3-methylsulfanylphenyl)prop-1-ynyl]pyridine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[2-[3-[3-(methylthio)phenyl]prop-1-ynyl]-4-pyridinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[3-(3-methylsulfanylphenyl)prop-1-ynyl]pyridine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[3-[3-(methylthio)phenyl]prop-1-ynyl]isonicotinoyl]amino]methyl]benzoic acid Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CC#CC2=NC=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)CC#CC2=NC=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H20N2O3S/c1-30-22-7-3-5-17(14-22)4-2-6-21-15-20(12-13-25-21)23(27)26-16-18-8-10-19(11-9-18)24(28)29/h3,5,7-15H,4,16H2,1H3,(H,26,27)(H,28,29)