(E,4Z)-2-(4-methylphenyl)sulfonyl-4-(1,3,3-trimethylindol-2-ylidene)but-2-enenitrile

Systemtic Name: (E,4Z)-2-(4-methylphenyl)sulfonyl-4-(1,3,3-trimethylindol-2-ylidene)but-2-enenitrile Openeye Name: (E,4Z)-2-(p-tolylsulfonyl)-4-(1,3,3-trimethylindolin-2-ylidene)but-2-enenitrile CAS Name: (E,4Z)-2-(4-methylphenyl)sulfonyl-4-(1,3,3-trimethyl-2-indolylidene)-2-butenenitrile IUPAC Name: (E,4Z)-2-(4-methylphenyl)sulfonyl-4-(1,3,3-trimethylindol-2-ylidene)but-2-enenitrile Traditional Name: (E,4Z)-2-tosyl-4-(1,3,3-trimethylindolin-2-ylidene)but-2-enenitrile Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC=C2C(C3=CC=CC=C3N2C)(C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C=C\2/C(C3=CC=CC=C3N2C)(C)C)/C#N

InChI

InChI=1S/C22H22N2O2S/c1-16-9-11-17(12-10-16)27(25,26)18(15-23)13-14-21-22(2,3)19-7-5-6-8-20(19)24(21)4/h5-14H,1-4H3/b18-13+,21-14-