2-methyl-N-(2-methylprop-2-enyl)-5-nitro-imidazole-1-carbothioamide

Systemtic Name: 2-methyl-N-(2-methylprop-2-enyl)-5-nitro-imidazole-1-carbothioamide Openeye Name: 2-methyl-N-(2-methylallyl)-5-nitro-imidazole-1-carbothioamide CAS Name: 2-methyl-N-(2-methylprop-2-enyl)-5-nitro-1-imidazolecarbothioamide IUPAC Name: 2-methyl-N-(2-methylprop-2-enyl)-5-nitroimidazole-1-carbothioamide Traditional Name: 2-methyl-N-(2-methylallyl)-5-nitro-imidazole-1-carbothioamide Formula: C9H12N4O2S MolecularWeight: 240.28218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1C(=S)NCC(=C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1C(=S)NCC(=C)C)[N+](=O)[O-]

InChI

InChI=1S/C9H12N4O2S/c1-6(2)4-11-9(16)12-7(3)10-5-8(12)13(14)15/h5H,1,4H2,2-3H3,(H,11,16)