butyl 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-2-3-13-28-20(27)16-9-11-17(12-10-16)22-18(26)14-29-21-23-19(24-25-21)15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3,(H,22,26)(H,23,24,25)