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

Systemtic Name: [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl 4-cyanobenzoate Openeye Name: [2-(3-bromophenyl)thiazol-4-yl]methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(3-bromophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(3-bromophenyl)thiazol-4-yl]methyl ester Formula: C18H11BrN2O2S MolecularWeight: 399.26114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11BrN2O2S/c19-15-3-1-2-14(8-15)17-21-16(11-24-17)10-23-18(22)13-6-4-12(9-20)5-7-13/h1-8,11H,10H2