4-[(5,7-diethyl-2-oxidanylidene-3-phenylsulfanyl-1,6-naphthyridin-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(5,7-diethyl-2-oxidanylidene-3-phenylsulfanyl-1,6-naphthyridin-1-yl)methyl]benzoic acid Openeye Name: 4-[(5,7-diethyl-2-oxo-3-phenylsulfanyl-1,6-naphthyridin-1-yl)methyl]benzoic acid CAS Name: 4-[[5,7-diethyl-2-oxo-3-(phenylthio)-1,6-naphthyridin-1-yl]methyl]benzoic acid IUPAC Name: 4-[(5,7-diethyl-2-oxo-3-phenylsulfanyl-1,6-naphthyridin-1-yl)methyl]benzoic acid Traditional Name: 4-[[5,7-diethyl-2-keto-3-(phenylthio)-1,6-naphthyridin-1-yl]methyl]benzoic acid Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C=C(C(=O)N(C2=C1)CC3=CC=C(C=C3)C(=O)O)SC4=CC=CC=C4)CC

Isomeric SMILES

CCC1=NC(=C2C=C(C(=O)N(C2=C1)CC3=CC=C(C=C3)C(=O)O)SC4=CC=CC=C4)CC

InChI

InChI=1S/C26H24N2O3S/c1-3-19-14-23-21(22(4-2)27-19)15-24(32-20-8-6-5-7-9-20)25(29)28(23)16-17-10-12-18(13-11-17)26(30)31/h5-15H,3-4,16H2,1-2H3,(H,30,31)