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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3OC)N4CCCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3OC)N4CCCCC4

InChI

InChI=1S/C24H28N6O4S/c1-16-15-18(30(32)33)11-12-19(16)25-22(31)17(2)35-24-27-26-23(28-13-7-4-8-14-28)29(24)20-9-5-6-10-21(20)34-3/h5-6,9-12,15,17H,4,7-8,13-14H2,1-3H3,(H,25,31)