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

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-[4-methyl-2-(pentylamino)-3H-1,2-thiazol-5-yl]methanone Openeye Name: (4-chloro-3-nitro-phenyl)-[4-methyl-2-(pentylamino)-3H-isothiazol-5-yl]methanone CAS Name: (4-chloro-3-nitrophenyl)-[4-methyl-2-(pentylamino)-3H-isothiazol-5-yl]methanone IUPAC Name: (4-chloro-3-nitrophenyl)-[4-methyl-2-(pentylamino)-3H-1,2-thiazol-5-yl]methanone Traditional Name: [2-(amylamino)-4-methyl-4-isothiazolin-5-yl]-(4-chloro-3-nitro-phenyl)methanone Formula: C16H20ClN3O3S MolecularWeight: 369.8663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNN1CC(=C(S1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCCCCNN1CC(=C(S1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C16H20ClN3O3S/c1-3-4-5-8-18-19-10-11(2)16(24-19)15(21)12-6-7-13(17)14(9-12)20(22)23/h6-7,9,18H,3-5,8,10H2,1-2H3