2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C14H8N4O3S3 MolecularWeight: 376.43332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C14H8N4O3S3/c19-13-12-9(3-4-22-12)15-11(17-13)6-23-14-16-8-2-1-7(18(20)21)5-10(8)24-14/h1-5H,6H2,(H,15,17,19)