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

Systemtic Name: (E)-3-(4-methoxy-3-propoxy-phenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-methoxy-3-propoxy-phenyl)-2-(4-phenylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(4-methoxy-3-propoxyphenyl)-2-(4-phenyl-2-thiazolyl)-2-propenenitrile IUPAC Name: (E)-3-(4-methoxy-3-propoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-methoxy-3-propoxy-phenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C=C(C#N)C2=NC(=CS2)C3=CC=CC=C3)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H20N2O2S/c1-3-11-26-21-13-16(9-10-20(21)25-2)12-18(14-23)22-24-19(15-27-22)17-7-5-4-6-8-17/h4-10,12-13,15H,3,11H2,1-2H3/b18-12+