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

Systemtic Name: 6,6-dimethyl-3-methylsulfanyl-1-(4-methyl-1,2,4-triazol-3-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-3-methylsulfanyl-1-(4-methyl-1,2,4-triazol-3-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-3-(methylthio)-1-(4-methyl-1,2,4-triazol-3-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-methylsulfanyl-1-(4-methyl-1,2,4-triazol-3-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-3-(methylthio)-1-(4-methyl-1,2,4-triazol-3-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C14H17N3OS2 MolecularWeight: 307.43428

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=NN=CN3C)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=NN=CN3C)C

InChI

InChI=1S/C14H17N3OS2/c1-14(2)5-8-10(9(18)6-14)13(19-4)20-11(8)12-16-15-7-17(12)3/h7H,5-6H2,1-4H3