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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)N4CCCCC4

InChI

InChI=1S/C24H28N6O4S/c1-17-6-8-18(9-7-17)29-23(28-13-4-3-5-14-28)26-27-24(29)35-15-12-22(31)25-20-16-19(30(32)33)10-11-21(20)34-2/h6-11,16H,3-5,12-15H2,1-2H3,(H,25,31)