2-[6-(4-methylphenyl)-4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[6-(4-methylphenyl)-4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[6-(p-tolyl)-4-(3-pyridyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[6-(4-methylphenyl)-4-(3-pyridinyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[6-(4-methylphenyl)-4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[6-(p-tolyl)-4-(3-pyridyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(NC(=S)N2)C3=CN=CC=C3)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(NC(=S)N2)C3=CN=CC=C3)CC(=O)O

InChI

InChI=1S/C18H17N3O2S/c1-11-4-6-12(7-5-11)16-14(9-15(22)23)17(21-18(24)20-16)13-3-2-8-19-10-13/h2-8,10,17H,9H2,1H3,(H,22,23)(H2,20,21,24)