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

Systemtic Name: 2-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C7H12N4O2S MolecularWeight: 216.26078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCC(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCC(=O)O

InChI

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