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

Systemtic Name: cyclohexyl 2-[[4-methyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[4-methyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[4-methyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)OC3CCCCC3

Isomeric SMILES

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)OC3CCCCC3

InChI

InChI=1S/C17H21N3O3S/c1-20-16(12-7-9-13(21)10-8-12)18-19-17(20)24-11-15(22)23-14-5-3-2-4-6-14/h7-10,14,18H,2-6,11H2,1H3