2-(4-bromanyl-5-oxidanylidene-2,3-diphenyl-thiophen-2-yl)-2-(4-methylphenyl)ethanenitrile

Systemtic Name: 2-(4-bromanyl-5-oxidanylidene-2,3-diphenyl-thiophen-2-yl)-2-(4-methylphenyl)ethanenitrile Openeye Name: 2-(4-bromo-5-oxo-2,3-diphenyl-2-thienyl)-2-(p-tolyl)acetonitrile CAS Name: 2-(4-bromo-5-oxo-2,3-diphenyl-2-thiophenyl)-2-(4-methylphenyl)acetonitrile IUPAC Name: 2-(4-bromo-5-oxo-2,3-diphenylthiophen-2-yl)-2-(4-methylphenyl)acetonitrile Traditional Name: 2-(4-bromo-5-keto-2,3-diphenyl-2-thienyl)-2-(p-tolyl)acetonitrile Formula: C25H18BrNOS MolecularWeight: 460.38552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C#N)C2(C(=C(C(=O)S2)Br)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(C#N)C2(C(=C(C(=O)S2)Br)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H18BrNOS/c1-17-12-14-18(15-13-17)21(16-27)25(20-10-6-3-7-11-20)22(23(26)24(28)29-25)19-8-4-2-5-9-19/h2-15,21H,1H3