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

Systemtic Name: methyl 3-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-2-phenyl-propanoate Openeye Name: methyl 3-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-2-phenyl-propanoate CAS Name: 3-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-2-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-2-phenylpropanoate Traditional Name: 3-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-2-phenyl-propionic acid methyl ester Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC(=O)CSC1=NNC(=N1)N)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CNC(=O)CSC1=NNC(=N1)N)C2=CC=CC=C2

InChI

InChI=1S/C14H17N5O3S/c1-22-12(21)10(9-5-3-2-4-6-9)7-16-11(20)8-23-14-17-13(15)18-19-14/h2-6,10H,7-8H2,1H3,(H,16,20)(H3,15,17,18,19)