2-[1-(4-chlorophenyl)sulfinylethyl]-3-methyl-5-nitro-imidazole-4-carbonitrile

Systemtic Name: 2-[1-(4-chlorophenyl)sulfinylethyl]-3-methyl-5-nitro-imidazole-4-carbonitrile Openeye Name: 2-[1-(4-chlorophenyl)sulfinylethyl]-3-methyl-5-nitro-imidazole-4-carbonitrile CAS Name: 2-[1-(4-chlorophenyl)sulfinylethyl]-3-methyl-5-nitro-4-imidazolecarbonitrile IUPAC Name: 2-[1-(4-chlorophenyl)sulfinylethyl]-3-methyl-5-nitroimidazole-4-carbonitrile Traditional Name: 2-[1-(4-chlorophenyl)sulfinylethyl]-3-methyl-5-nitro-imidazole-4-carbonitrile Formula: C13H11ClN4O3S MolecularWeight: 338.76944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=C(N1C)C#N)[N+](=O)[O-])S(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C1=NC(=C(N1C)C#N)[N+](=O)[O-])S(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H11ClN4O3S/c1-8(22(21)10-5-3-9(14)4-6-10)12-16-13(18(19)20)11(7-15)17(12)2/h3-6,8H,1-2H3