2-[4-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl]ethanoate

Systemtic Name: 2-[4-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl]ethanoate Openeye Name: 2-[4-[[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]acetate CAS Name: 2-[4-[[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]phenyl]acetate IUPAC Name: 2-[4-[[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]acetate Traditional Name: 2-[4-[[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]phenyl]acetate Formula: C16H17N4O3S- MolecularWeight: 345.39618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)CC(=O)[O-])C3CC3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)CC(=O)[O-])C3CC3

InChI

InChI=1S/C16H18N4O3S/c1-20-15(11-4-5-11)18-19-16(20)24-9-13(21)17-12-6-2-10(3-7-12)8-14(22)23/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,21)(H,22,23)/p-1