2-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]-2-methyl-propanenitrile

Systemtic Name: 2-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]-2-methyl-propanenitrile Openeye Name: 2-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]-2-methyl-propanenitrile CAS Name: 2-[4-[(4-chlorophenyl)thio]-3-nitrophenyl]-2-methylpropanenitrile IUPAC Name: 2-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]-2-methylpropanenitrile Traditional Name: 2-[4-[(4-chlorophenyl)thio]-3-nitro-phenyl]-2-methyl-propionitrile Formula: C16H13ClN2O2S MolecularWeight: 332.80462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C#N)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN2O2S/c1-16(2,10-18)11-3-8-15(14(9-11)19(20)21)22-13-6-4-12(17)5-7-13/h3-9H,1-2H3