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

Systemtic Name: 6,6-dimethyl-3-methylsulfanyl-1-[4-(phenylmethyl)-1,2,4-triazol-3-yl]-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 1-(4-benzyl-1,2,4-triazol-3-yl)-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-3-(methylthio)-1-[4-(phenylmethyl)-1,2,4-triazol-3-yl]-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 1-(4-benzyl-1,2,4-triazol-3-yl)-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 1-(4-benzyl-1,2,4-triazol-3-yl)-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophen-4-one Formula: C20H21N3OS2 MolecularWeight: 383.53024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=NN=CN3CC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=NN=CN3CC4=CC=CC=C4)C

InChI

InChI=1S/C20H21N3OS2/c1-20(2)9-14-16(15(24)10-20)19(25-3)26-17(14)18-22-21-12-23(18)11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3