2-(4-nitrophenyl)sulfanyl-N-quinolin-5-yl-benzamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-quinolin-5-yl-benzamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-(5-quinolyl)benzamide CAS Name: 2-[(4-nitrophenyl)thio]-N-(5-quinolinyl)benzamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-quinolin-5-ylbenzamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-(5-quinolyl)benzamide Formula: C22H15N3O3S MolecularWeight: 401.4378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=CC3=C2C=CC=N3)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC3=C2C=CC=N3)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O3S/c26-22(24-20-8-3-7-19-17(20)6-4-14-23-19)18-5-1-2-9-21(18)29-16-12-10-15(11-13-16)25(27)28/h1-14H,(H,24,26)