ethyl 2-[[4-methyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[4-methyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-methyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-methyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NNC(=C2C=CC=CC2=O)N1C

Isomeric SMILES

CCOC(=O)CSC1=NNC(=C2C=CC=CC2=O)N1C

InChI

InChI=1S/C13H15N3O3S/c1-3-19-11(18)8-20-13-15-14-12(16(13)2)9-6-4-5-7-10(9)17/h4-7,14H,3,8H2,1-2H3