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

Systemtic Name: 2-(6-phenyl-4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl)ethanoic acid Openeye Name: 2-[6-phenyl-4-(3-pyridyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[6-phenyl-4-(3-pyridinyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-(6-phenyl-4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl)acetic acid Traditional Name: 2-[6-phenyl-4-(3-pyridyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O2S/c21-14(22)9-13-15(11-5-2-1-3-6-11)19-17(23)20-16(13)12-7-4-8-18-10-12/h1-8,10,16H,9H2,(H,21,22)(H2,19,20,23)