2-(4-chlorophenyl)sulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]pyridine-3-carboxamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-nitro-phenyl)methyl]pyridine-3-carboxamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-5-nitrophenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-[(4-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(N=C1)SC2=CC=C(C=C2)Cl)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(N=C1)SC2=CC=C(C=C2)Cl)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

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