N-[3-[2-(4-nitrophenyl)sulfanylpropanoylamino]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[3-[2-(4-nitrophenyl)sulfanylpropanoylamino]phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[2-(4-nitrophenyl)sulfanylpropanoylamino]phenyl]pyridine-3-carboxamide CAS Name: N-[3-[[2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[2-(4-nitrophenyl)sulfanylpropanoylamino]phenyl]pyridine-3-carboxamide Traditional Name: N-[3-[2-[(4-nitrophenyl)thio]propanoylamino]phenyl]nicotinamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CN=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CN=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c1-14(30-19-9-7-18(8-10-19)25(28)29)20(26)23-16-5-2-6-17(12-16)24-21(27)15-4-3-11-22-13-15/h2-14H,1H3,(H,23,26)(H,24,27)