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

Systemtic Name: [2-(butylamino)-3H-1,2-thiazol-5-yl]-(4-chloranyl-3-nitro-phenyl)methanone Openeye Name: [2-(butylamino)-3H-isothiazol-5-yl]-(4-chloro-3-nitro-phenyl)methanone CAS Name: [2-(butylamino)-3H-isothiazol-5-yl]-(4-chloro-3-nitrophenyl)methanone IUPAC Name: [2-(butylamino)-3H-1,2-thiazol-5-yl]-(4-chloro-3-nitrophenyl)methanone Traditional Name: [2-(butylamino)-4-isothiazolin-5-yl]-(4-chloro-3-nitro-phenyl)methanone Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNN1CC=C(S1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCNN1CC=C(S1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H16ClN3O3S/c1-2-3-7-16-17-8-6-13(22-17)14(19)10-4-5-11(15)12(9-10)18(20)21/h4-6,9,16H,2-3,7-8H2,1H3