3-(5-bromanyl-1-benzothiophen-2-yl)-2-(4-methoxyphenyl)butanenitrile

Systemtic Name: 3-(5-bromanyl-1-benzothiophen-2-yl)-2-(4-methoxyphenyl)butanenitrile Openeye Name: 3-(5-bromobenzothiophen-2-yl)-2-(4-methoxyphenyl)butanenitrile CAS Name: 3-(5-bromo-1-benzothiophen-2-yl)-2-(4-methoxyphenyl)butanenitrile IUPAC Name: 3-(5-bromo-1-benzothiophen-2-yl)-2-(4-methoxyphenyl)butanenitrile Traditional Name: 3-(5-bromobenzothiophen-2-yl)-2-(4-methoxyphenyl)butyronitrile Formula: C19H16BrNOS MolecularWeight: 386.30544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(S1)C=CC(=C2)Br)C(C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C1=CC2=C(S1)C=CC(=C2)Br)C(C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H16BrNOS/c1-12(17(11-21)13-3-6-16(22-2)7-4-13)19-10-14-9-15(20)5-8-18(14)23-19/h3-10,12,17H,1-2H3