2-methyl-5-nitro-N-(phenylmethyl)imidazole-1-carbothioamide

Systemtic Name: 2-methyl-5-nitro-N-(phenylmethyl)imidazole-1-carbothioamide Openeye Name: N-benzyl-2-methyl-5-nitro-imidazole-1-carbothioamide CAS Name: 2-methyl-5-nitro-N-(phenylmethyl)-1-imidazolecarbothioamide IUPAC Name: N-benzyl-2-methyl-5-nitroimidazole-1-carbothioamide Traditional Name: N-benzyl-2-methyl-5-nitro-imidazole-1-carbothioamide Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1C(=S)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1C(=S)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O2S/c1-9-13-8-11(16(17)18)15(9)12(19)14-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,19)