5-(2-chloroethylsulfanyl)-2-methyl-4-nitro-1-(phenylmethyl)imidazole

Systemtic Name: 5-(2-chloroethylsulfanyl)-2-methyl-4-nitro-1-(phenylmethyl)imidazole Openeye Name: 1-benzyl-5-(2-chloroethylsulfanyl)-2-methyl-4-nitro-imidazole CAS Name: 5-(2-chloroethylthio)-2-methyl-4-nitro-1-(phenylmethyl)imidazole IUPAC Name: 1-benzyl-5-(2-chloroethylsulfanyl)-2-methyl-4-nitroimidazole Traditional Name: 1-benzyl-5-(2-chloroethylthio)-2-methyl-4-nitro-imidazole Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=CC=C2)SCCCl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=CC=C2)SCCCl)[N+](=O)[O-]

InChI

InChI=1S/C13H14ClN3O2S/c1-10-15-12(17(18)19)13(20-8-7-14)16(10)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3