5-(4-bromophenyl)sulfanyl-2-(4-tert-butylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(4-bromophenyl)sulfanyl-2-(4-tert-butylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-bromophenyl)sulfanyl-2-(4-tert-butylphenyl)oxazole-4-carbonitrile CAS Name: 5-[(4-bromophenyl)thio]-2-(4-tert-butylphenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-bromophenyl)sulfanyl-2-(4-tert-butylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-[(4-bromophenyl)thio]-2-(4-tert-butylphenyl)oxazole-4-carbonitrile Formula: C20H17BrN2OS MolecularWeight: 413.33078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=C(O2)SC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=C(O2)SC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C20H17BrN2OS/c1-20(2,3)14-6-4-13(5-7-14)18-23-17(12-22)19(24-18)25-16-10-8-15(21)9-11-16/h4-11H,1-3H3