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

Systemtic Name: propan-2-yl 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C7H12N4O2S MolecularWeight: 216.26078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NNC(=N1)N

Isomeric SMILES

CC(C)OC(=O)CSC1=NNC(=N1)N

InChI

InChI=1S/C7H12N4O2S/c1-4(2)13-5(12)3-14-7-9-6(8)10-11-7/h4H,3H2,1-2H3,(H3,8,9,10,11)