(E)-3-(4-methylphenyl)sulfinyl-4-phenylmethoxy-but-2-enenitrile

Systemtic Name: (E)-3-(4-methylphenyl)sulfinyl-4-phenylmethoxy-but-2-enenitrile Openeye Name: (E)-4-benzyloxy-3-(p-tolylsulfinyl)but-2-enenitrile CAS Name: (E)-3-(4-methylphenyl)sulfinyl-4-phenylmethoxy-2-butenenitrile IUPAC Name: (E)-3-(4-methylphenyl)sulfinyl-4-phenylmethoxybut-2-enenitrile Traditional Name: (E)-4-benzoxy-3-(p-tolylsulfinyl)but-2-enenitrile Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C(=CC#N)COCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)/C(=C/C#N)/COCC2=CC=CC=C2

InChI

InChI=1S/C18H17NO2S/c1-15-7-9-17(10-8-15)22(20)18(11-12-19)14-21-13-16-5-3-2-4-6-16/h2-11H,13-14H2,1H3/b18-11+