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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[5-(m-tolyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C30H25N5O2S2 MolecularWeight: 551.6818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3)C6=CC(=CC=C6)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3)C6=CC(=CC=C6)C

InChI

InChI=1S/C30H25N5O2S2/c1-3-37-23-14-12-22(13-15-23)35-27(21-11-7-8-19(2)16-21)33-34-30(35)39-18-25-31-28(36)26-24(17-38-29(26)32-25)20-9-5-4-6-10-20/h4-17H,3,18H2,1-2H3,(H,31,32,36)