2-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]hexanoic acid

Systemtic Name: 2-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]hexanoic acid Openeye Name: 2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]hexanoic acid CAS Name: 2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]hexanoic acid Traditional Name: 2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]hexanoic acid Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3S/c1-2-3-14-18(21(28)29)23-19(27)15-30-22-25-24-20(16-10-6-4-7-11-16)26(22)17-12-8-5-9-13-17/h4-13,18H,2-3,14-15H2,1H3,(H,23,27)(H,28,29)