4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-(4-tert-butylphenyl)thiazol-4-yl]benzonitrile CAS Name: 4-[2-(4-tert-butylphenyl)-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-(4-tert-butylphenyl)thiazol-4-yl]benzonitrile Formula: C20H18N2S MolecularWeight: 318.43532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2S/c1-20(2,3)17-10-8-16(9-11-17)19-22-18(13-23-19)15-6-4-14(12-21)5-7-15/h4-11,13H,1-3H3