6,6-dimethyl-3-methylsulfanyl-1-(2H-1,2,3,4-tetrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 6,6-dimethyl-3-methylsulfanyl-1-(2H-1,2,3,4-tetrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-3-methylsulfanyl-1-(2H-tetrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-3-(methylthio)-1-(2H-tetrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-methylsulfanyl-1-(2H-tetrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-3-(methylthio)-1-(2H-tetrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C12H14N4OS2 MolecularWeight: 294.39576

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=NNN=N3)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=NNN=N3)C

InChI

InChI=1S/C12H14N4OS2/c1-12(2)4-6-8(7(17)5-12)11(18-3)19-9(6)10-13-15-16-14-10/h4-5H2,1-3H3,(H,13,14,15,16)