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

Systemtic Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-2-[[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-2-[[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C24H25N5O2S2 MolecularWeight: 479.6176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN(C(=N3)C4CCCCC4)C5=CC=CC=C5)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN(C(=N3)C4CCCCC4)C5=CC=CC=C5)C(=O)C

InChI

InChI=1S/C24H25N5O2S2/c1-14-19-22(31)25-18(26-23(19)33-20(14)15(2)30)13-32-24-27-21(16-9-5-3-6-10-16)29(28-24)17-11-7-4-8-12-17/h4,7-8,11-12,16H,3,5-6,9-10,13H2,1-2H3,(H,25,26,31)