2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[5-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[5-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C22H23BrN4O2S MolecularWeight: 487.41262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NNC(=C3C=C(C=CC3=O)Br)N2C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NNC(=C3C=C(C=CC3=O)Br)N2C4=CC=CC=C4

InChI

InChI=1S/C22H23BrN4O2S/c23-15-11-12-19(28)18(13-15)21-25-26-22(27(21)17-9-5-2-6-10-17)30-14-20(29)24-16-7-3-1-4-8-16/h2,5-6,9-13,16,25H,1,3-4,7-8,14H2,(H,24,29)