[2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: [2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: [2-(dicyclohexylamino)-2-oxo-ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate CAS Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [2-(dicyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(dicyclohexylamino)-2-oxoethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [2-(dicyclohexylamino)-2-keto-ethyl] ester Formula: C25H34N4O3S MolecularWeight: 470.62746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)N(C3CCCCC3)C4CCCCC4)SC

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)N(C3CCCCC3)C4CCCCC4)SC

InChI

InChI=1S/C25H34N4O3S/c1-18-26-27-25(33-2)28(18)22-15-13-19(14-16-22)24(31)32-17-23(30)29(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h13-16,20-21H,3-12,17H2,1-2H3