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

Systemtic Name: methyl 4-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]butyric acid methyl ester Formula: C9H15N5O3S MolecularWeight: 273.3121

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=NNC(=N1)N

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=NNC(=N1)N

InChI

InChI=1S/C9H15N5O3S/c1-17-7(16)3-2-4-11-6(15)5-18-9-12-8(10)13-14-9/h2-5H2,1H3,(H,11,15)(H3,10,12,13,14)