5-(3,5-dimethylphenyl)sulfanyl-1-methyl-4-nitro-imidazole

Systemtic Name: 5-(3,5-dimethylphenyl)sulfanyl-1-methyl-4-nitro-imidazole Openeye Name: 5-(3,5-dimethylphenyl)sulfanyl-1-methyl-4-nitro-imidazole CAS Name: 5-[(3,5-dimethylphenyl)thio]-1-methyl-4-nitroimidazole IUPAC Name: 5-(3,5-dimethylphenyl)sulfanyl-1-methyl-4-nitroimidazole Traditional Name: 5-[(3,5-dimethylphenyl)thio]-1-methyl-4-nitro-imidazole Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(N=CN2C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(N=CN2C)[N+](=O)[O-])C

InChI

InChI=1S/C12H13N3O2S/c1-8-4-9(2)6-10(5-8)18-12-11(15(16)17)13-7-14(12)3/h4-7H,1-3H3