(4-chloranyl-3-nitro-phenyl)-[2-(ethylamino)-4-methyl-3H-1,2-thiazol-5-yl]methanone

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-[2-(ethylamino)-4-methyl-3H-1,2-thiazol-5-yl]methanone Openeye Name: (4-chloro-3-nitro-phenyl)-[2-(ethylamino)-4-methyl-3H-isothiazol-5-yl]methanone CAS Name: (4-chloro-3-nitrophenyl)-[2-(ethylamino)-4-methyl-3H-isothiazol-5-yl]methanone IUPAC Name: (4-chloro-3-nitrophenyl)-[2-(ethylamino)-4-methyl-3H-1,2-thiazol-5-yl]methanone Traditional Name: (4-chloro-3-nitro-phenyl)-[2-(ethylamino)-4-methyl-4-isothiazolin-5-yl]methanone Formula: C13H14ClN3O3S MolecularWeight: 327.78656

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Descriptors Computed from Structure

Canonical SMILES:

CCNN1CC(=C(S1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCNN1CC(=C(S1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C13H14ClN3O3S/c1-3-15-16-7-8(2)13(21-16)12(18)9-4-5-10(14)11(6-9)17(19)20/h4-6,15H,3,7H2,1-2H3