[2-chloranyl-4-[(5-nitropyridin-2-yl)amino]sulfanyl-phenyl]-(2-methylphenyl)methanone

Systemtic Name: [2-chloranyl-4-[(5-nitropyridin-2-yl)amino]sulfanyl-phenyl]-(2-methylphenyl)methanone Openeye Name: [2-chloro-4-[(5-nitro-2-pyridyl)amino]sulfanyl-phenyl]-(o-tolyl)methanone CAS Name: 3-chloro-4-[(2-methylphenyl)-oxomethyl]-N-(5-nitro-2-pyridinyl)benzenesulfenamide IUPAC Name: [2-chloro-4-[(5-nitropyridin-2-yl)amino]sulfanylphenyl]-(2-methylphenyl)methanone Traditional Name: [2-chloro-4-[[(5-nitro-2-pyridyl)amino]thio]phenyl]-(o-tolyl)methanone Formula: C19H14ClN3O3S MolecularWeight: 399.85076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=C(C=C(C=C2)SNC3=NC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=C(C=C(C=C2)SNC3=NC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H14ClN3O3S/c1-12-4-2-3-5-15(12)19(24)16-8-7-14(10-17(16)20)27-22-18-9-6-13(11-21-18)23(25)26/h2-11H,1H3,(H,21,22)