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

Systemtic Name: 5,6-dimethyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H15N5OS2 MolecularWeight: 369.4639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=CN3C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=CN3C4=CC=CC=C4)C

InChI

InChI=1S/C17H15N5OS2/c1-10-11(2)25-16-14(10)15(23)19-13(20-16)8-24-17-21-18-9-22(17)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,19,20,23)