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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C24H28N6O4S MolecularWeight: 496.58192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C24H28N6O4S/c1-17(23(31)25-20-15-19(30(32)33)11-12-21(20)34-2)35-24-27-26-22(16-28-13-7-4-8-14-28)29(24)18-9-5-3-6-10-18/h3,5-6,9-12,15,17H,4,7-8,13-14,16H2,1-2H3,(H,25,31)