3-[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one

Systemtic Name: 3-[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one Openeye Name: 3-[4-(2,5-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one CAS Name: 3-[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one IUPAC Name: 3-[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one Traditional Name: 3-[4-(2,5-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C3=NNC(=S)N3C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C3=NNC(=S)N3C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C21H21N5O3S/c1-5-25-11-15(18(27)14-8-6-12(2)22-19(14)25)20-23-24-21(30)26(20)16-10-13(28-3)7-9-17(16)29-4/h6-11H,5H2,1-4H3,(H,24,30)