methyl 4-chloranyl-3-[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H21ClN4O3S MolecularWeight: 396.89164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl

Isomeric SMILES

CCCC1=NN=C(N1CC)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl

InChI

InChI=1S/C17H21ClN4O3S/c1-4-6-14-20-21-17(22(14)5-2)26-10-15(23)19-13-9-11(16(24)25-3)7-8-12(13)18/h7-9H,4-6,10H2,1-3H3,(H,19,23)