methyl 6-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]hexanoate

Systemtic Name: methyl 6-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]hexanoate Openeye Name: methyl 6-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]hexanoate CAS Name: 6-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]hexanoate Traditional Name: 6-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]hexanoic acid methyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O3S/c1-30-21(29)15-9-4-10-16-24-20(28)17-31-23-26-25-22(18-11-5-2-6-12-18)27(23)19-13-7-3-8-14-19/h2-3,5-8,11-14H,4,9-10,15-17H2,1H3,(H,24,28)