methyl (2S)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: methyl (2S)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: methyl (2S)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: (2S)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: (2S)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propionic acid methyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NNC(=O)N1CCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OC)SC1=NNC(=O)N1CCC2=CC=CC=C2

InChI

InChI=1S/C14H17N3O3S/c1-10(12(18)20-2)21-14-16-15-13(19)17(14)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,19)/t10-/m0/s1