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

Systemtic Name: 2-[[4-methyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-methyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-methyl-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-methyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)N

Isomeric SMILES

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)N

InChI

InChI=1S/C11H12N4O2S/c1-15-10(7-2-4-8(16)5-3-7)13-14-11(15)18-6-9(12)17/h2-5,13H,6H2,1H3,(H2,12,17)