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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=CN3C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=CN3C4=CC=CC=C4)C(=O)C

InChI

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