2-[2-cyano-3-(methoxymethyl)-5-methyl-phenyl]sulfanyl-6-(methoxymethyl)-4-methyl-benzenecarbonitrile

Systemtic Name: 2-[2-cyano-3-(methoxymethyl)-5-methyl-phenyl]sulfanyl-6-(methoxymethyl)-4-methyl-benzenecarbonitrile Openeye Name: 2-[2-cyano-3-(methoxymethyl)-5-methyl-phenyl]sulfanyl-6-(methoxymethyl)-4-methyl-benzonitrile CAS Name: 2-[[2-cyano-3-(methoxymethyl)-5-methylphenyl]thio]-6-(methoxymethyl)-4-methylbenzonitrile IUPAC Name: 2-[2-cyano-3-(methoxymethyl)-5-methylphenyl]sulfanyl-6-(methoxymethyl)-4-methylbenzonitrile Traditional Name: 2-[[2-cyano-3-(methoxymethyl)-5-methyl-phenyl]thio]-6-(methoxymethyl)-4-methyl-benzonitrile Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)SC2=CC(=CC(=C2C#N)COC)C)C#N)COC

Isomeric SMILES

CC1=CC(=C(C(=C1)SC2=CC(=CC(=C2C#N)COC)C)C#N)COC

InChI

InChI=1S/C20H20N2O2S/c1-13-5-15(11-23-3)17(9-21)19(7-13)25-20-8-14(2)6-16(12-24-4)18(20)10-22/h5-8H,11-12H2,1-4H3