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

Systemtic Name: 6,6-dimethyl-3-propan-2-ylsulfanyl-1-(2H-1,2,3,4-tetrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 3-isopropylsulfanyl-6,6-dimethyl-1-(2H-tetrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-3-(propan-2-ylthio)-1-(2H-tetrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-propan-2-ylsulfanyl-1-(2H-tetrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-(isopropylthio)-6,6-dimethyl-1-(2H-tetrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C14H18N4OS2 MolecularWeight: 322.44892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C2C(=C(S1)C3=NNN=N3)CC(CC2=O)(C)C

Isomeric SMILES

CC(C)SC1=C2C(=C(S1)C3=NNN=N3)CC(CC2=O)(C)C

InChI

InChI=1S/C14H18N4OS2/c1-7(2)20-13-10-8(5-14(3,4)6-9(10)19)11(21-13)12-15-17-18-16-12/h7H,5-6H2,1-4H3,(H,15,16,17,18)