[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-cyanobenzoate

Systemtic Name: [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-cyanobenzoate Openeye Name: [2-(4-isopropylphenyl)thiazol-4-yl]methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(4-propan-2-ylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (2-p-cumenylthiazol-4-yl)methyl ester Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O2S/c1-14(2)16-7-9-17(10-8-16)20-23-19(13-26-20)12-25-21(24)18-5-3-15(11-22)4-6-18/h3-10,13-14H,12H2,1-2H3