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

Systemtic Name: 6,6-dimethyl-3-methylsulfanyl-1-(2-methyl-1,2,3,4-tetrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-3-methylsulfanyl-1-(2-methyltetrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-1-(2-methyl-5-tetrazolyl)-3-(methylthio)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-methylsulfanyl-1-(2-methyltetrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-1-(2-methyltetrazol-5-yl)-3-(methylthio)-5,7-dihydroisobenzothiophen-4-one Formula: C13H16N4OS2 MolecularWeight: 308.42234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4OS2/c1-13(2)5-7-9(8(18)6-13)12(19-4)20-10(7)11-14-16-17(3)15-11/h5-6H2,1-4H3