2-(2-chlorophenyl)sulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-(2-chlorophenyl)sulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]pyridine-3-carboxamide Openeye Name: 2-(2-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-nitro-phenyl)methyl]pyridine-3-carboxamide CAS Name: 2-[(2-chlorophenyl)thio]-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-(2-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-nitrophenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-[(2-chlorophenyl)thio]-N-(2-hydroxy-5-nitro-benzyl)nicotinamide Formula: C19H14ClN3O4S MolecularWeight: 415.85016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SC2=C(C=CC=N2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)SC2=C(C=CC=N2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C19H14ClN3O4S/c20-15-5-1-2-6-17(15)28-19-14(4-3-9-21-19)18(25)22-11-12-10-13(23(26)27)7-8-16(12)24/h1-10,24H,11H2,(H,22,25)