2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H18N6OS2 MolecularWeight: 446.54792

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C5=CC=NC=C5

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C5=CC=NC=C5

InChI

InChI=1S/C22H18N6OS2/c1-2-28-19(15-8-10-23-11-9-15)26-27-22(28)31-13-17-24-20(29)18-16(12-30-21(18)25-17)14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,24,25,29)