(E)-3-(4-butoxy-3-methoxy-phenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(4-butoxy-3-methoxy-phenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-butoxy-3-methoxy-phenyl)-2-(4-phenylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(4-butoxy-3-methoxyphenyl)-2-(4-phenyl-2-thiazolyl)-2-propenenitrile IUPAC Name: (E)-3-(4-butoxy-3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-butoxy-3-methoxy-phenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC=CC=C3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC=CC=C3)OC

InChI

InChI=1S/C23H22N2O2S/c1-3-4-12-27-21-11-10-17(14-22(21)26-2)13-19(15-24)23-25-20(16-28-23)18-8-6-5-7-9-18/h5-11,13-14,16H,3-4,12H2,1-2H3/b19-13+