2,4-dimethoxy-N-[1-[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 2,4-dimethoxy-N-[1-[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-2,4-dimethoxy-benzamide CAS Name: 2,4-dimethoxy-N-[1-[4-(4-nitrophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: N-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-2,4-dimethoxybenzamide Traditional Name: N-[1-[5-(benzylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-2,4-dimethoxy-benzamide Formula: C26H25N5O5S MolecularWeight: 519.5722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3)NC(=O)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CC(C1=NN=C(N1C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3)NC(=O)C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C26H25N5O5S/c1-17(27-25(32)22-14-13-21(35-2)15-23(22)36-3)24-28-29-26(37-16-18-7-5-4-6-8-18)30(24)19-9-11-20(12-10-19)31(33)34/h4-15,17H,16H2,1-3H3,(H,27,32)