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

Systemtic Name: propyl 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: propyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetic acid propyl ester IUPAC Name: propyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetic acid propyl ester Formula: C7H12N4O2S MolecularWeight: 216.26078

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=NNC(=N1)N

Isomeric SMILES

CCCOC(=O)CSC1=NNC(=N1)N

InChI

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