6-[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]hexanoate

Systemtic Name: 6-[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]hexanoate Openeye Name: 6-[[2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]hexanoate CAS Name: 6-[[2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]hexanoate IUPAC Name: 6-[[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]hexanoate Traditional Name: 6-[[2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetyl]amino]hexanoate Formula: C20H21N4O4S- MolecularWeight: 413.47014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCCCCC(=O)[O-])C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCCCCC(=O)[O-])C3=CC=CO3

InChI

InChI=1S/C20H22N4O4S/c25-17(21-12-6-2-5-11-18(26)27)14-29-20-23-22-19(16-10-7-13-28-16)24(20)15-8-3-1-4-9-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,21,25)(H,26,27)/p-1