2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C23H19N5O4S MolecularWeight: 461.49306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O4S/c1-15-3-4-17(13-20(15)28(30)31)21(29)14-33-23-26-25-22(16-9-11-24-12-10-16)27(23)18-5-7-19(32-2)8-6-18/h3-13H,14H2,1-2H3