2-[[5-methyl-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-methyl-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-methyl-4-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]-5-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C12H11N4O3S- MolecularWeight: 291.30574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC=C2C=CC(=O)C=C2)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1NC=C2C=CC(=O)C=C2)SCC(=O)[O-]

InChI

InChI=1S/C12H12N4O3S/c1-8-14-15-12(20-7-11(18)19)16(8)13-6-9-2-4-10(17)5-3-9/h2-6,13H,7H2,1H3,(H,18,19)/p-1