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

Systemtic Name: 3-[(4-bromophenyl)amino]-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(4-bromoanilino)-2-[4-(3,4-dimethylphenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-(4-bromoanilino)-2-[4-(3,4-dimethylphenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-(4-bromoanilino)-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(4-bromoanilino)-2-[4-(3,4-dimethylphenyl)thiazol-2-yl]acrylonitrile Formula: C20H16BrN3S MolecularWeight: 410.33014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN3S/c1-13-3-4-15(9-14(13)2)19-12-25-20(24-19)16(10-22)11-23-18-7-5-17(21)6-8-18/h3-9,11-12,23H,1-2H3