(4-ethanoylphenyl) 4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: (4-ethanoylphenyl) 4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: (4-acetylphenyl) 4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid (4-acetylphenyl) ester Formula: C20H18N4O4S MolecularWeight: 410.44632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C

InChI

InChI=1S/C20H18N4O4S/c1-13(25)14-5-9-17(10-6-14)28-19(27)15-3-7-16(8-4-15)22-18(26)11-29-20-23-21-12-24(20)2/h3-10,12H,11H2,1-2H3,(H,22,26)