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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SN(C1)NCC)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(SN(C1)NCC)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O3S/c1-3-9-8-17(16-4-2)22-14(9)13(19)10-5-6-11(15)12(7-10)18(20)21/h5-7,16H,3-4,8,15H2,1-2H3