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

Systemtic Name: 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-[(3,4-dimethoxyphenyl)amino]prop-2-enenitrile Openeye Name: 2-[4-(3-bromophenyl)thiazol-2-yl]-3-(3,4-dimethoxyanilino)prop-2-enenitrile CAS Name: 2-[4-(3-bromophenyl)-2-thiazolyl]-3-(3,4-dimethoxyanilino)-2-propenenitrile IUPAC Name: 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethoxyanilino)prop-2-enenitrile Traditional Name: 2-[4-(3-bromophenyl)thiazol-2-yl]-3-(3,4-dimethoxyanilino)acrylonitrile Formula: C20H16BrN3O2S MolecularWeight: 442.32894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C20H16BrN3O2S/c1-25-18-7-6-16(9-19(18)26-2)23-11-14(10-22)20-24-17(12-27-20)13-4-3-5-15(21)8-13/h3-9,11-12,23H,1-2H3