methyl 6-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]hexanoate

Systemtic Name: methyl 6-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]hexanoate Openeye Name: methyl 6-[3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]hexanoate CAS Name: 6-[[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxopropyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]hexanoate Traditional Name: 6-[3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]hexanoic acid methyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCCCCCC(=O)OC

InChI

InChI=1S/C19H26N4O3S/c1-14-7-6-8-15(13-14)18-21-22-19(27)23(18)12-10-16(24)20-11-5-3-4-9-17(25)26-2/h6-8,13H,3-5,9-12H2,1-2H3,(H,20,24)(H,22,27)