4-[[3-[2-(4-methylphenyl)-2-oxidanylidene-ethoxy]-1-benzothiophen-2-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[2-(4-methylphenyl)-2-oxidanylidene-ethoxy]-1-benzothiophen-2-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[3-[2-oxo-2-(p-tolyl)ethoxy]benzothiophene-2-carbonyl]benzonitrile CAS Name: 4-[[3-[2-(4-methylphenyl)-2-oxoethoxy]-1-benzothiophen-2-yl]-oxomethyl]benzonitrile IUPAC Name: 4-[3-[2-(4-methylphenyl)-2-oxoethoxy]-1-benzothiophene-2-carbonyl]benzonitrile Traditional Name: 4-[3-[2-keto-2-(p-tolyl)ethoxy]benzothiophene-2-carbonyl]benzonitrile Formula: C25H17NO3S MolecularWeight: 411.47238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC2=C(SC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC2=C(SC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H17NO3S/c1-16-6-10-18(11-7-16)21(27)15-29-24-20-4-2-3-5-22(20)30-25(24)23(28)19-12-8-17(14-26)9-13-19/h2-13H,15H2,1H3