2,6-ditert-butyl-4-(5-methylsulfinyl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-(5-methylsulfinyl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-(5-methylsulfinyl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-(5-methylsulfinyl-1,2-dihydro-1,2,4-triazol-3-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-(5-methylsulfinyl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-(5-methylsulfinyl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one Formula: C17H25N3O2S MolecularWeight: 335.4643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2NNC(=N2)S(=O)C)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2NNC(=N2)S(=O)C)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C17H25N3O2S/c1-16(2,3)11-8-10(9-12(13(11)21)17(4,5)6)14-18-15(20-19-14)23(7)22/h8-9,19H,1-7H3,(H,18,20)