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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C15H12N6OS2 MolecularWeight: 356.42538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NNC(=N4)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NNC(=N4)N

InChI

InChI=1S/C15H12N6OS2/c16-14-19-15(21-20-14)24-7-10-17-12(22)11-9(6-23-13(11)18-10)8-4-2-1-3-5-8/h1-6H,7H2,(H,17,18,22)(H3,16,19,20,21)