N-(5-chloranyl-2-morpholin-4-yl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(5-chloranyl-2-morpholin-4-yl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(5-chloro-2-morpholino-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[5-chloro-2-(4-morpholinyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(5-chloro-2-morpholin-4-ylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(5-chloro-2-morpholino-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C20H19ClN6O4S MolecularWeight: 474.92066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN6O4S/c1-25-12-22-24-20(25)32-18-5-2-13(10-17(18)27(29)30)19(28)23-15-11-14(21)3-4-16(15)26-6-8-31-9-7-26/h2-5,10-12H,6-9H2,1H3,(H,23,28)