5-(bromomethyl)-N-[(E)-1-(4-butoxy-3-nitro-phenyl)ethylideneamino]-4,5-dihydro-1,3-thiazol-2-amine

Systemtic Name: 5-(bromomethyl)-N-[(E)-1-(4-butoxy-3-nitro-phenyl)ethylideneamino]-4,5-dihydro-1,3-thiazol-2-amine Openeye Name: 5-(bromomethyl)-N-[(E)-1-(4-butoxy-3-nitro-phenyl)ethylideneamino]-4,5-dihydrothiazol-2-amine CAS Name: 5-(bromomethyl)-N-[(E)-1-(4-butoxy-3-nitrophenyl)ethylideneamino]-4,5-dihydrothiazol-2-amine IUPAC Name: 5-(bromomethyl)-N-[(E)-1-(4-butoxy-3-nitrophenyl)ethylideneamino]-4,5-dihydro-1,3-thiazol-2-amine Traditional Name: [5-(bromomethyl)-2-thiazolin-2-yl]-[(E)-1-(4-butoxy-3-nitro-phenyl)ethylideneamino]amine Formula: C16H21BrN4O3S MolecularWeight: 429.33194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=NNC2=NCC(S2)CBr)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C(=N/NC2=NCC(S2)CBr)/C)[N+](=O)[O-]

InChI

InChI=1S/C16H21BrN4O3S/c1-3-4-7-24-15-6-5-12(8-14(15)21(22)23)11(2)19-20-16-18-10-13(9-17)25-16/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,18,20)/b19-11+