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

Systemtic Name: N-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(2-methylphenyl)prop-2-enamide Openeye Name: N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-2-cyano-3-(o-tolyl)prop-2-enamide CAS Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-2-thiazolyl]-2-cyano-3-(2-methylphenyl)-2-propenamide IUPAC Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(2-methylphenyl)prop-2-enamide Traditional Name: N-[5-(3-chloro-4-methyl-benzyl)thiazol-2-yl]-2-cyano-3-(o-tolyl)acrylamide Formula: C22H18ClN3OS MolecularWeight: 407.91582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)C(=CC3=CC=CC=C3C)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)C(=CC3=CC=CC=C3C)C#N)Cl

InChI

InChI=1S/C22H18ClN3OS/c1-14-5-3-4-6-17(14)11-18(12-24)21(27)26-22-25-13-19(28-22)9-16-8-7-15(2)20(23)10-16/h3-8,10-11,13H,9H2,1-2H3,(H,25,26,27)