1-[2-[3-(chloromethyl)-2-methyl-phenyl]sulfanylethyl]-2-methyl-5-nitro-imidazole

Systemtic Name: 1-[2-[3-(chloromethyl)-2-methyl-phenyl]sulfanylethyl]-2-methyl-5-nitro-imidazole Openeye Name: 1-[2-[3-(chloromethyl)-2-methyl-phenyl]sulfanylethyl]-2-methyl-5-nitro-imidazole CAS Name: 1-[2-[[3-(chloromethyl)-2-methylphenyl]thio]ethyl]-2-methyl-5-nitroimidazole IUPAC Name: 1-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]-2-methyl-5-nitroimidazole Traditional Name: 1-[2-[[3-(chloromethyl)-2-methyl-phenyl]thio]ethyl]-2-methyl-5-nitro-imidazole Formula: C14H16ClN3O2S MolecularWeight: 325.81374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCN2C(=NC=C2[N+](=O)[O-])C)CCl

Isomeric SMILES

CC1=C(C=CC=C1SCCN2C(=NC=C2[N+](=O)[O-])C)CCl

InChI

InChI=1S/C14H16ClN3O2S/c1-10-12(8-15)4-3-5-13(10)21-7-6-17-11(2)16-9-14(17)18(19)20/h3-5,9H,6-8H2,1-2H3