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

Systemtic Name: (E)-3-(3-butoxy-4-methoxy-phenyl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-butoxy-4-methoxy-phenyl)-2-(4-methylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-butoxy-4-methoxyphenyl)-2-(4-methyl-2-thiazolyl)-2-propenenitrile IUPAC Name: (E)-3-(3-butoxy-4-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-butoxy-4-methoxy-phenyl)-2-(4-methylthiazol-2-yl)acrylonitrile Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2S/c1-4-5-8-22-17-10-14(6-7-16(17)21-3)9-15(11-19)18-20-13(2)12-23-18/h6-7,9-10,12H,4-5,8H2,1-3H3/b15-9+