[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC(C)C(=O)N)C2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)O[C@@H](C)C(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C15H18N4O3S/c1-3-19-14(11-7-5-4-6-8-11)17-18-15(19)23-9-12(20)22-10(2)13(16)21/h4-8,10H,3,9H2,1-2H3,(H2,16,21)/t10-/m0/s1