2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-allyl-5-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C13H11BrN3O3S- MolecularWeight: 369.21374

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC(=O)[O-]

Isomeric SMILES

C=CCN1C(=C2C=C(C=CC2=O)Br)NN=C1SCC(=O)[O-]

InChI

InChI=1S/C13H12BrN3O3S/c1-2-5-17-12(9-6-8(14)3-4-10(9)18)15-16-13(17)21-7-11(19)20/h2-4,6,15H,1,5,7H2,(H,19,20)/p-1