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

Systemtic Name: N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(4-methylphenyl)prop-2-enamide Openeye Name: N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-2-cyano-3-(p-tolyl)prop-2-enamide CAS Name: N-[5-[(3-chlorophenyl)methyl]-2-thiazolyl]-2-cyano-3-(4-methylphenyl)-2-propenamide IUPAC Name: N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(4-methylphenyl)prop-2-enamide Traditional Name: N-[5-(3-chlorobenzyl)thiazol-2-yl]-2-cyano-3-(p-tolyl)acrylamide Formula: C21H16ClN3OS MolecularWeight: 393.88924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H16ClN3OS/c1-14-5-7-15(8-6-14)9-17(12-23)20(26)25-21-24-13-19(27-21)11-16-3-2-4-18(22)10-16/h2-10,13H,11H2,1H3,(H,24,25,26)