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

Systemtic Name: cyclohexyl 2-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=NNC(=C3C=CC=CC3=O)N2CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NNC(=C3C=CC=CC3=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3S/c28-21-14-8-7-13-20(21)23-25-26-24(27(23)16-15-18-9-3-1-4-10-18)31-17-22(29)30-19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19,25H,2,5-6,11-12,15-17H2