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

Systemtic Name: [2-(butylamino)-4-methyl-3H-1,2-thiazol-5-yl]-(4-chloranyl-3-nitro-phenyl)methanone Openeye Name: [2-(butylamino)-4-methyl-3H-isothiazol-5-yl]-(4-chloro-3-nitro-phenyl)methanone CAS Name: [2-(butylamino)-4-methyl-3H-isothiazol-5-yl]-(4-chloro-3-nitrophenyl)methanone IUPAC Name: [2-(butylamino)-4-methyl-3H-1,2-thiazol-5-yl]-(4-chloro-3-nitrophenyl)methanone Traditional Name: [2-(butylamino)-4-methyl-4-isothiazolin-5-yl]-(4-chloro-3-nitro-phenyl)methanone Formula: C15H18ClN3O3S MolecularWeight: 355.83972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O3S/c1-3-4-7-17-18-9-10(2)15(23-18)14(20)11-5-6-12(16)13(8-11)19(21)22/h5-6,8,17H,3-4,7,9H2,1-2H3