methyl 4-[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]butanoate CAS Name: 4-[[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]butyric acid methyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCCCC(=O)OC

InChI

InChI=1S/C16H20N4O3S/c1-11-5-3-6-12(9-11)15-18-19-16(24)20(15)10-13(21)17-8-4-7-14(22)23-2/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,17,21)(H,19,24)