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

Systemtic Name: 3-[(2-bromanyl-4-methyl-phenyl)amino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(2-bromo-4-methyl-anilino)-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-(2-bromo-4-methylanilino)-2-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-(2-bromo-4-methylanilino)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(2-bromo-4-methyl-anilino)-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]acrylonitrile Formula: C21H18BrN3O2S MolecularWeight: 456.35552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC(=C(C=C3)OC)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC(=C(C=C3)OC)OC)Br

InChI

InChI=1S/C21H18BrN3O2S/c1-13-4-6-17(16(22)8-13)24-11-15(10-23)21-25-18(12-28-21)14-5-7-19(26-2)20(9-14)27-3/h4-9,11-12,24H,1-3H3