2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H13N5OS2 MolecularWeight: 355.43732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CN1C=NN=C1SCC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C16H13N5OS2/c1-21-9-17-20-16(21)23-8-13-18-14(22)11-7-12(24-15(11)19-13)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,18,19,22)