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

Systemtic Name: 4-[2-(3-cyclohexyloxypropylamino)-2-oxidanylidene-ethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[3-(cyclohexoxy)propylamino]-2-oxo-ethyl]-5-(m-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[3-(cyclohexoxy)propylamino]-2-keto-ethyl]-5-(m-tolyl)-1,2,4-triazole-3-thiolate Formula: C20H27N4O2S- MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)NCCCOC3CCCCC3)[S-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)NCCCOC3CCCCC3)[S-]

InChI

InChI=1S/C20H28N4O2S/c1-15-7-5-8-16(13-15)19-22-23-20(27)24(19)14-18(25)21-11-6-12-26-17-9-3-2-4-10-17/h5,7-8,13,17H,2-4,6,9-12,14H2,1H3,(H,21,25)(H,23,27)/p-1