3-[(2-bromanyl-4-methyl-phenyl)amino]-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: 3-[(2-bromanyl-4-methyl-phenyl)amino]-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(2-bromo-4-methyl-anilino)-2-[4-(2,4-dimethylphenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-(2-bromo-4-methylanilino)-2-[4-(2,4-dimethylphenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-(2-bromo-4-methylanilino)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(2-bromo-4-methyl-anilino)-2-[4-(2,4-dimethylphenyl)thiazol-2-yl]acrylonitrile Formula: C21H18BrN3S MolecularWeight: 424.35672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC(=N2)C(=CNC3=C(C=C(C=C3)C)Br)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC(=N2)C(=CNC3=C(C=C(C=C3)C)Br)C#N)C

InChI

InChI=1S/C21H18BrN3S/c1-13-4-6-17(15(3)8-13)20-12-26-21(25-20)16(10-23)11-24-19-7-5-14(2)9-18(19)22/h4-9,11-12,24H,1-3H3