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

Systemtic Name: methyl 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: methyl 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate CAS Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)thio]butanoic acid methyl ester IUPAC Name: methyl 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)thio]butyric acid methyl ester Formula: C7H12N4O2S MolecularWeight: 216.26078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=NNC(=N1)N

Isomeric SMILES

COC(=O)CCCSC1=NNC(=N1)N

InChI

InChI=1S/C7H12N4O2S/c1-13-5(12)3-2-4-14-7-9-6(8)10-11-7/h2-4H2,1H3,(H3,8,9,10,11)