butane; [2-(1-ethenyl-5-nitro-imidazol-2-yl)-1,3-thiazol-4-yl]-thiomorpholin-4-yl-methanimine

Systemtic Name: butane; [2-(1-ethenyl-5-nitro-imidazol-2-yl)-1,3-thiazol-4-yl]-thiomorpholin-4-yl-methanimine Openeye Name: butane; [2-(5-nitro-1-vinyl-imidazol-2-yl)thiazol-4-yl]-thiomorpholino-methanimine CAS Name: butane; [2-(1-ethenyl-5-nitro-2-imidazolyl)-4-thiazolyl]-thiomorpholin-4-ylmethanimine IUPAC Name: butane; [2-(1-ethenyl-5-nitroimidazol-2-yl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanimine Traditional Name: n-butane; [[2-(5-nitro-1-vinyl-imidazol-2-yl)thiazol-4-yl]-thiomorpholino-methylene]amine Formula: C17H24N6O2S2 MolecularWeight: 408.54146

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C=CN1C(=CN=C1C2=NC(=CS2)C(=N)N3CCSCC3)[N+](=O)[O-]

Isomeric SMILES

CCCC.C=CN1C(=CN=C1C2=NC(=CS2)C(=N)N3CCSCC3)[N+](=O)[O-]

InChI

InChI=1S/C13H14N6O2S2.C4H10/c1-2-18-10(19(20)21)7-15-12(18)13-16-9(8-23-13)11(14)17-3-5-22-6-4-17;1-3-4-2/h2,7-8,14H,1,3-6H2;3-4H2,1-2H3