2-bromanyl-1-butyl-3-methyl-2-(4-methylphenyl)sulfinyl-3-phenethyl-cyclopropane-1-carbonitrile

Systemtic Name: 2-bromanyl-1-butyl-3-methyl-2-(4-methylphenyl)sulfinyl-3-phenethyl-cyclopropane-1-carbonitrile Openeye Name: 2-bromo-1-butyl-3-methyl-3-phenethyl-2-(p-tolylsulfinyl)cyclopropanecarbonitrile CAS Name: 2-bromo-1-butyl-3-methyl-2-(4-methylphenyl)sulfinyl-3-phenethyl-1-cyclopropanecarbonitrile IUPAC Name: 2-bromo-1-butyl-3-methyl-2-(4-methylphenyl)sulfinyl-3-phenethylcyclopropane-1-carbonitrile Traditional Name: 2-bromo-1-butyl-3-methyl-3-phenethyl-2-(p-tolylsulfinyl)cyclopropanecarbonitrile Formula: C24H28BrNOS MolecularWeight: 458.45422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(C1(S(=O)C2=CC=C(C=C2)C)Br)(C)CCC3=CC=CC=C3)C#N

Isomeric SMILES

CCCCC1(C(C1(S(=O)C2=CC=C(C=C2)C)Br)(C)CCC3=CC=CC=C3)C#N

InChI

InChI=1S/C24H28BrNOS/c1-4-5-16-23(18-26)22(3,17-15-20-9-7-6-8-10-20)24(23,25)28(27)21-13-11-19(2)12-14-21/h6-14H,4-5,15-17H2,1-3H3