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

Systemtic Name: 2-methylpropyl 4-[2-[(4-azanyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: isobutyl 4-[[2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid isobutyl ester Formula: C17H23N5O3S MolecularWeight: 377.46122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C

Isomeric SMILES

CCC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C

InChI

InChI=1S/C17H23N5O3S/c1-4-14-20-21-17(22(14)18)26-10-15(23)19-13-7-5-12(6-8-13)16(24)25-9-11(2)3/h5-8,11H,4,9-10,18H2,1-3H3,(H,19,23)