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

Systemtic Name: 2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-[(4-phenoxyphenyl)amino]prop-2-enenitrile Openeye Name: 2-[4-(2,4-dimethylphenyl)thiazol-2-yl]-3-(4-phenoxyanilino)prop-2-enenitrile CAS Name: 2-[4-(2,4-dimethylphenyl)-2-thiazolyl]-3-(4-phenoxyanilino)-2-propenenitrile IUPAC Name: 2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-phenoxyanilino)prop-2-enenitrile Traditional Name: 2-[4-(2,4-dimethylphenyl)thiazol-2-yl]-3-(4-phenoxyanilino)acrylonitrile Formula: C26H21N3OS MolecularWeight: 423.52944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC(=N2)C(=CNC3=CC=C(C=C3)OC4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC(=N2)C(=CNC3=CC=C(C=C3)OC4=CC=CC=C4)C#N)C

InChI

InChI=1S/C26H21N3OS/c1-18-8-13-24(19(2)14-18)25-17-31-26(29-25)20(15-27)16-28-21-9-11-23(12-10-21)30-22-6-4-3-5-7-22/h3-14,16-17,28H,1-2H3