(E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)-2-(4-phenylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(4-phenyl-2-thiazolyl)-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile Formula: C21H17ClN2O2S MolecularWeight: 396.88988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C=C(C#N)C2=NC(=CS2)C3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)/C=C(\C#N)/C2=NC(=CS2)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H17ClN2O2S/c1-3-26-20-17(22)10-14(11-19(20)25-2)9-16(12-23)21-24-18(13-27-21)15-7-5-4-6-8-15/h4-11,13H,3H2,1-2H3/b16-9+