(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-3-(4-benzyloxy-3-methoxy-phenyl)-2-[4-(4-bromophenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: (E)-2-[4-(4-bromophenyl)-2-thiazolyl]-3-(3-methoxy-4-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-benzoxy-3-methoxy-phenyl)-2-[4-(4-bromophenyl)thiazol-2-yl]acrylonitrile Formula: C26H19BrN2O2S MolecularWeight: 503.41026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C26H19BrN2O2S/c1-30-25-14-19(7-12-24(25)31-16-18-5-3-2-4-6-18)13-21(15-28)26-29-23(17-32-26)20-8-10-22(27)11-9-20/h2-14,17H,16H2,1H3/b21-13+