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

Systemtic Name: ethyl 4-[2-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C16H21N5O3S MolecularWeight: 363.43464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C16H21N5O3S/c1-3-5-13-19-20-16(21(13)17)25-10-14(22)18-12-8-6-11(7-9-12)15(23)24-4-2/h6-9H,3-5,10,17H2,1-2H3,(H,18,22)