(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-tert-butylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-tert-butylphenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(4-bromophenyl)thiazol-2-yl]-3-(4-tert-butylphenyl)prop-2-enenitrile CAS Name: (E)-2-[4-(4-bromophenyl)-2-thiazolyl]-3-(4-tert-butylphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-tert-butylphenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(4-bromophenyl)thiazol-2-yl]-3-(4-tert-butylphenyl)acrylonitrile Formula: C22H19BrN2S MolecularWeight: 423.36866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H19BrN2S/c1-22(2,3)18-8-4-15(5-9-18)12-17(13-24)21-25-20(14-26-21)16-6-10-19(23)11-7-16/h4-12,14H,1-3H3/b17-12+