2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-methoxy-4-oxidanyl-phenyl)propanenitrile

Systemtic Name: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-methoxy-4-oxidanyl-phenyl)propanenitrile Openeye Name: 2-[4-(4-bromophenyl)thiazol-2-yl]-3-(4-hydroxy-3-methoxy-phenyl)propanenitrile CAS Name: 2-[4-(4-bromophenyl)-2-thiazolyl]-3-(4-hydroxy-3-methoxyphenyl)propanenitrile IUPAC Name: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-hydroxy-3-methoxyphenyl)propanenitrile Traditional Name: 2-[4-(4-bromophenyl)thiazol-2-yl]-3-(4-hydroxy-3-methoxy-phenyl)propionitrile Formula: C19H15BrN2O2S MolecularWeight: 415.3036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Br)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C19H15BrN2O2S/c1-24-18-9-12(2-7-17(18)23)8-14(10-21)19-22-16(11-25-19)13-3-5-15(20)6-4-13/h2-7,9,11,14,23H,8H2,1H3