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

Systemtic Name: 3,5-dimethoxy-N-[1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 3,5-dimethoxy-N-[1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 3,5-dimethoxy-N-[1-[5-[(3-methoxyphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: N-[1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethoxy-benzamide Formula: C27H27N5O6S MolecularWeight: 549.59818

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)OC)NC(=O)C4=CC(=CC(=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O6S/c1-17(28-26(33)19-13-23(37-3)15-24(14-19)38-4)25-29-30-27(39-16-18-6-5-7-22(12-18)36-2)31(25)20-8-10-21(11-9-20)32(34)35/h5-15,17H,16H2,1-4H3,(H,28,33)