2-[[5-(naphthalen-1-ylmethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(naphthalen-1-ylmethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(1-naphthylmethyl)-4-oxo-6-phenyl-1H-pyrimidin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(1-naphthalenylmethyl)-4-oxo-6-phenyl-1H-pyrimidin-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(naphthalen-1-ylmethyl)-4-oxo-6-phenyl-1H-pyrimidin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-keto-5-(1-naphthylmethyl)-6-phenyl-1H-pyrimidin-2-yl]thio]acetic acid Formula: C23H18N2O3S MolecularWeight: 402.46562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H18N2O3S/c26-20(27)14-29-23-24-21(16-8-2-1-3-9-16)19(22(28)25-23)13-17-11-6-10-15-7-4-5-12-18(15)17/h1-12H,13-14H2,(H,26,27)(H,24,25,28)