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

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)-2-(4-phenylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-(4-phenyl-2-thiazolyl)-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile Formula: C22H19ClN2O2S MolecularWeight: 410.91646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C=C(C#N)C2=NC(=CS2)C3=CC=CC=C3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)/C=C(\C#N)/C2=NC(=CS2)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H19ClN2O2S/c1-14(2)27-21-18(23)10-15(11-20(21)26-3)9-17(12-24)22-25-19(13-28-22)16-7-5-4-6-8-16/h4-11,13-14H,1-3H3/b17-9+