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

Systemtic Name: 6-ethanoyl-5-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-5-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-5-methyl-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-5-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-5-methyl-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H15N5O2S2 MolecularWeight: 397.474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NNC(=N3)C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NNC(=N3)C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C18H15N5O2S2/c1-9-13-16(25)19-12(20-17(13)27-14(9)10(2)24)8-26-18-21-15(22-23-18)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,19,20,25)(H,21,22,23)