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

Systemtic Name: methyl 6-[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoylamino]hexanoate Openeye Name: methyl 6-[[2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]hexanoate CAS Name: 6-[[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]amino]hexanoate Traditional Name: 6-[[2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]hexanoic acid methyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCCCCCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCCCCCC(=O)OC

InChI

InChI=1S/C18H24N4O4S/c1-25-14-9-7-13(8-10-14)17-20-21-18(27)22(17)12-15(23)19-11-5-3-4-6-16(24)26-2/h7-10H,3-6,11-12H2,1-2H3,(H,19,23)(H,21,27)