2-methyl-5-nitro-N-prop-2-enyl-imidazole-1-carbothioamide

Systemtic Name: 2-methyl-5-nitro-N-prop-2-enyl-imidazole-1-carbothioamide Openeye Name: N-allyl-2-methyl-5-nitro-imidazole-1-carbothioamide CAS Name: 2-methyl-5-nitro-N-prop-2-enyl-1-imidazolecarbothioamide IUPAC Name: 2-methyl-5-nitro-N-prop-2-enylimidazole-1-carbothioamide Traditional Name: N-allyl-2-methyl-5-nitro-imidazole-1-carbothioamide Formula: C8H10N4O2S MolecularWeight: 226.2556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N4O2S/c1-3-4-9-8(15)11-6(2)10-5-7(11)12(13)14/h3,5H,1,4H2,2H3,(H,9,15)