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

Systemtic Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C12H11N5OS2 MolecularWeight: 305.37864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN=C2SCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1CC1N2C=NN=C2SCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C12H11N5OS2/c18-11-10-8(3-4-19-10)14-9(15-11)5-20-12-16-13-6-17(12)7-1-2-7/h3-4,6-7H,1-2,5H2,(H,14,15,18)