2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-ethyl-1H-1,2,4-triazol-3-yl]sulfanyl]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]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]acetamide CAS Name: 2-[[5-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-4-ethyl-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-ethyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-4-ethyl-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C12H13BrN4O2S MolecularWeight: 357.22622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN4O2S/c1-2-17-11(8-5-7(13)3-4-9(8)18)15-16-12(17)20-6-10(14)19/h3-5,15H,2,6H2,1H3,(H2,14,19)