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

Systemtic Name: 2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H19N5O2S2 MolecularWeight: 461.55926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C23H19N5O2S2/c29-20-19-17(16-9-5-2-6-10-16)13-31-21(19)25-18(24-20)14-32-23-27-26-22(30)28(23)12-11-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2,(H,26,30)(H,24,25,29)