4-[2-(3-cyclohexyloxypropylamino)-2-oxidanylidene-ethyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-(3-cyclohexyloxypropylamino)-2-oxidanylidene-ethyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[3-(cyclohexoxy)propylamino]-2-oxo-ethyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[3-(cyclohexoxy)propylamino]-2-keto-ethyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C20H27N4O3S- MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC(=O)NCCCOC3CCCCC3)[S-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC(=O)NCCCOC3CCCCC3)[S-]

InChI

InChI=1S/C20H28N4O3S/c1-26-16-10-8-15(9-11-16)19-22-23-20(28)24(19)14-18(25)21-12-5-13-27-17-6-3-2-4-7-17/h8-11,17H,2-7,12-14H2,1H3,(H,21,25)(H,23,28)/p-1