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

Systemtic Name: 3-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)propanamide Openeye Name: 3-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)propanamide CAS Name: 3-[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)propanamide Traditional Name: 3-[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)propionamide Formula: C23H26N6O4S MolecularWeight: 482.55534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C23H26N6O4S/c1-33-20-8-4-3-7-19(20)28-22(27-14-5-2-6-15-27)25-26-23(28)34-16-13-21(30)24-17-9-11-18(12-10-17)29(31)32/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,24,30)