2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-ethyl-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-ethyl-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-ethyl-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-ethyl-1H-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-ethyl-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-ethyl-1H-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C18H23BrN4O2S MolecularWeight: 439.36982

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC(=O)NC3CCCCC3

Isomeric SMILES

CCN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC(=O)NC3CCCCC3

InChI

InChI=1S/C18H23BrN4O2S/c1-2-23-17(14-10-12(19)8-9-15(14)24)21-22-18(23)26-11-16(25)20-13-6-4-3-5-7-13/h8-10,13,21H,2-7,11H2,1H3,(H,20,25)