3-(4-methoxyphenyl)-N-(3-nitro-5-pyridin-2-ylsulfanyl-phenyl)propanamide

Systemtic Name: 3-(4-methoxyphenyl)-N-(3-nitro-5-pyridin-2-ylsulfanyl-phenyl)propanamide Openeye Name: 3-(4-methoxyphenyl)-N-[3-nitro-5-(2-pyridylsulfanyl)phenyl]propanamide CAS Name: 3-(4-methoxyphenyl)-N-[3-nitro-5-(2-pyridinylthio)phenyl]propanamide IUPAC Name: 3-(4-methoxyphenyl)-N-(3-nitro-5-pyridin-2-ylsulfanylphenyl)propanamide Traditional Name: 3-(4-methoxyphenyl)-N-[3-nitro-5-(2-pyridylthio)phenyl]propionamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NC2=CC(=CC(=C2)SC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NC2=CC(=CC(=C2)SC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4S/c1-28-18-8-5-15(6-9-18)7-10-20(25)23-16-12-17(24(26)27)14-19(13-16)29-21-4-2-3-11-22-21/h2-6,8-9,11-14H,7,10H2,1H3,(H,23,25)