2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C26H21N5OS2 MolecularWeight: 483.60784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CSC4=NC(=C(N=N4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CSC4=NC(=C(N=N4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C26H21N5OS2/c32-24-21-18-13-7-8-14-19(18)34-25(21)28-20(27-24)15-33-26-29-22(16-9-3-1-4-10-16)23(30-31-26)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2,(H,27,28,32)