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

Systemtic Name: propan-2-yl 4-[(3-azanyl-1H-1,2,4-triazol-5-yl)sulfonylmethyl]benzoate Openeye Name: isopropyl 4-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonylmethyl]benzoate CAS Name: 4-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonylmethyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonylmethyl]benzoate Traditional Name: 4-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonylmethyl]benzoic acid isopropyl ester Formula: C13H16N4O4S MolecularWeight: 324.35554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=NC(=NN2)N

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=NC(=NN2)N

InChI

InChI=1S/C13H16N4O4S/c1-8(2)21-11(18)10-5-3-9(4-6-10)7-22(19,20)13-15-12(14)16-17-13/h3-6,8H,7H2,1-2H3,(H3,14,15,16,17)