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

Systemtic Name: butyl 4-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=O)N2CCC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=O)N2CCC

InChI

InChI=1S/C18H24N4O4S/c1-3-5-11-26-16(24)13-6-8-14(9-7-13)19-15(23)12-27-18-21-20-17(25)22(18)10-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,19,23)(H,20,25)