2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(4-butoxyphenyl)amino]prop-2-enenitrile

Systemtic Name: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(4-butoxyphenyl)amino]prop-2-enenitrile Openeye Name: 2-[4-(4-bromophenyl)thiazol-2-yl]-3-(4-butoxyanilino)prop-2-enenitrile CAS Name: 2-[4-(4-bromophenyl)-2-thiazolyl]-3-(4-butoxyanilino)-2-propenenitrile IUPAC Name: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-butoxyanilino)prop-2-enenitrile Traditional Name: 2-[4-(4-bromophenyl)thiazol-2-yl]-3-(4-butoxyanilino)acrylonitrile Formula: C22H20BrN3OS MolecularWeight: 454.3827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrN3OS/c1-2-3-12-27-20-10-8-19(9-11-20)25-14-17(13-24)22-26-21(15-28-22)16-4-6-18(23)7-5-16/h4-11,14-15,25H,2-3,12H2,1H3