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

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C24H25N5OS2 MolecularWeight: 463.6182

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C5CCCCC5

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C5CCCCC5

InChI

InChI=1S/C24H25N5OS2/c1-2-13-29-21(17-11-7-4-8-12-17)27-28-24(29)32-15-19-25-22(30)20-18(14-31-23(20)26-19)16-9-5-3-6-10-16/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13,15H2,(H,25,26,30)