N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-(phenylthio)nicotinamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H21N3O5S/c1-29-19-13-15(18(25(27)28)14-20(19)30-2)10-12-23-21(26)17-9-6-11-24-22(17)31-16-7-4-3-5-8-16/h3-9,11,13-14H,10,12H2,1-2H3,(H,23,26)