2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C22H15N5OS2 MolecularWeight: 429.5174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=NC(=O)C4=C(N3)C=CS4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=NC(=O)C4=C(N3)C=CS4)C5=CC=CC=C5

InChI

InChI=1S/C22H15N5OS2/c28-21-20-16(11-12-29-20)23-17(24-21)13-30-22-25-18(14-7-3-1-4-8-14)19(26-27-22)15-9-5-2-6-10-15/h1-12H,13H2,(H,23,24,28)