N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: N-[5-[(4-bromophenyl)methyl]thiazol-2-yl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide CAS Name: N-[5-[(4-bromophenyl)methyl]-2-thiazolyl]-2-cyano-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: N-[5-(4-bromobenzyl)thiazol-2-yl]-2-cyano-3-(4-methoxyphenyl)acrylamide Formula: C21H16BrN3O2S MolecularWeight: 454.33964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H16BrN3O2S/c1-27-18-8-4-14(5-9-18)10-16(12-23)20(26)25-21-24-13-19(28-21)11-15-2-6-17(22)7-3-15/h2-10,13H,11H2,1H3,(H,24,25,26)