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

Systemtic Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H19N5OS2 MolecularWeight: 409.52776

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)C5CC5

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)C5CC5

InChI

InChI=1S/C20H19N5OS2/c1-2-25-17(13-8-9-13)23-24-20(25)27-11-16-21-18(26)14-10-15(28-19(14)22-16)12-6-4-3-5-7-12/h3-7,10,13H,2,8-9,11H2,1H3,(H,21,22,26)