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

Systemtic Name: 5-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H18N6OS2 MolecularWeight: 458.55862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N6OS2/c1-2-12-29-20(16-8-10-24-11-9-16)27-28-23(29)32-14-18-25-21(30)19-17(13-31-22(19)26-18)15-6-4-3-5-7-15/h2-11,13H,1,12,14H2,(H,25,26,30)