4-[[2-(dimethylaminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]-1-nitro-butane-2,2-diamine

Systemtic Name: 4-[[2-(dimethylaminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]-1-nitro-butane-2,2-diamine Openeye Name: 4-[[2-(dimethylaminomethyl)thiazol-4-yl]methylsulfanyl]-1-nitro-butane-2,2-diamine CAS Name: 4-[[2-(dimethylaminomethyl)-4-thiazolyl]methylthio]-1-nitrobutane-2,2-diamine IUPAC Name: 4-[[2-(dimethylaminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]-1-nitrobutane-2,2-diamine Traditional Name: [4-[[(3,3-diamino-4-nitro-butyl)thio]methyl]thiazol-2-yl]methyl-dimethyl-amine Formula: C11H21N5O2S2 MolecularWeight: 319.44674

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NC(=CS1)CSCCC(C[N+](=O)[O-])(N)N

Isomeric SMILES

CN(C)CC1=NC(=CS1)CSCCC(C[N+](=O)[O-])(N)N

InChI

InChI=1S/C11H21N5O2S2/c1-15(2)5-10-14-9(7-20-10)6-19-4-3-11(12,13)8-16(17)18/h7H,3-6,8,12-13H2,1-2H3