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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

InChI

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