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

Systemtic Name: (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-butoxy-4-methoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(4-bromophenyl)thiazol-2-yl]-3-(3-butoxy-4-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-[4-(4-bromophenyl)-2-thiazolyl]-3-(3-butoxy-4-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-butoxy-4-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(4-bromophenyl)thiazol-2-yl]-3-(3-butoxy-4-methoxy-phenyl)acrylonitrile Formula: C23H21BrN2O2S MolecularWeight: 469.39404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN2O2S/c1-3-4-11-28-22-13-16(5-10-21(22)27-2)12-18(14-25)23-26-20(15-29-23)17-6-8-19(24)9-7-17/h5-10,12-13,15H,3-4,11H2,1-2H3/b18-12+