4-[4-methyl-3-(2,4,4-trimethylpentan-2-yldisulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-methyl-3-(2,4,4-trimethylpentan-2-yldisulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-methyl-3-(1,1,3,3-tetramethylbutyldisulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-methyl-3-(2,4,4-trimethylpentan-2-yldisulfanyl)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-methyl-3-(2,4,4-trimethylpentan-2-yldisulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-methyl-3-(1,1,3,3-tetramethylbutyldisulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C17H25N3OS2 MolecularWeight: 351.5299

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)SSC1=NNC(=C2C=CC(=O)C=C2)N1C

Isomeric SMILES

CC(C)(C)CC(C)(C)SSC1=NNC(=C2C=CC(=O)C=C2)N1C

InChI

InChI=1S/C17H25N3OS2/c1-16(2,3)11-17(4,5)23-22-15-19-18-14(20(15)6)12-7-9-13(21)10-8-12/h7-10,18H,11H2,1-6H3