3-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 3-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C24H28N6O4S MolecularWeight: 496.58192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3OC)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3OC)N4CCCCC4

InChI

InChI=1S/C24H28N6O4S/c1-17-10-11-18(30(32)33)16-19(17)25-22(31)12-15-35-24-27-26-23(28-13-6-3-7-14-28)29(24)20-8-4-5-9-21(20)34-2/h4-5,8-11,16H,3,6-7,12-15H2,1-2H3,(H,25,31)