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

Systemtic Name: 4-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-(3-methoxypropylamino)-2-oxo-ethyl]-5-(m-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-(3-methoxypropylamino)-2-oxoethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-(3-methoxypropylamino)-2-oxoethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-(3-methoxypropylamino)ethyl]-5-(m-tolyl)-1,2,4-triazole-3-thiolate Formula: C15H19N4O2S- MolecularWeight: 319.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O2S/c1-11-5-3-6-12(9-11)14-17-18-15(22)19(14)10-13(20)16-7-4-8-21-2/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,16,20)(H,18,22)/p-1