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

Systemtic Name: (4-azanyl-3-nitro-phenyl)-[2-(butylamino)-3H-1,2-thiazol-5-yl]methanone Openeye Name: (4-amino-3-nitro-phenyl)-[2-(butylamino)-3H-isothiazol-5-yl]methanone CAS Name: (4-amino-3-nitrophenyl)-[2-(butylamino)-3H-isothiazol-5-yl]methanone IUPAC Name: (4-amino-3-nitrophenyl)-[2-(butylamino)-3H-1,2-thiazol-5-yl]methanone Traditional Name: (4-amino-3-nitro-phenyl)-[2-(butylamino)-4-isothiazolin-5-yl]methanone Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O3S/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,2-3,7-8,15H2,1H3