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

Systemtic Name: 2-[[4-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-5-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C12H10BrN4O3S- MolecularWeight: 370.2018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC=C2C=C(C=CC2=O)Br)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1NC=C2C=C(C=CC2=O)Br)SCC(=O)[O-]

InChI

InChI=1S/C12H11BrN4O3S/c1-7-15-16-12(21-6-11(19)20)17(7)14-5-8-4-9(13)2-3-10(8)18/h2-5,14H,6H2,1H3,(H,19,20)/p-1