methyl (2R)-4-methyl-2-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]pentanoate

Systemtic Name: methyl (2R)-4-methyl-2-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]pentanoate Openeye Name: methyl (2R)-4-methyl-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]pentanoate CAS Name: (2R)-4-methyl-2-[[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R)-4-methyl-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]pentanoate Traditional Name: (2R)-4-methyl-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]valeric acid methyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C17H22N4O3S/c1-11(2)9-13(16(23)24-3)18-14(22)10-25-17-19-15(20-21-17)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,18,22)(H,19,20,21)/t13-/m1/s1