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

Systemtic Name: ethyl 4-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C10H17N5O3S MolecularWeight: 287.33868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17N5O3S/c1-2-18-8(17)4-3-5-12-7(16)6-19-10-13-9(11)14-15-10/h2-6H2,1H3,(H,12,16)(H3,11,13,14,15)