4-azanyl-5-(2,4-dimethylphenyl)carbonyl-2-[[3-(trifluoromethyl)phenyl]amino]thiophene-3-carbonitrile

Systemtic Name: 4-azanyl-5-(2,4-dimethylphenyl)carbonyl-2-[[3-(trifluoromethyl)phenyl]amino]thiophene-3-carbonitrile Openeye Name: 4-amino-5-(2,4-dimethylbenzoyl)-2-[3-(trifluoromethyl)anilino]thiophene-3-carbonitrile CAS Name: 4-amino-5-[(2,4-dimethylphenyl)-oxomethyl]-2-[3-(trifluoromethyl)anilino]-3-thiophenecarbonitrile IUPAC Name: 4-amino-5-(2,4-dimethylbenzoyl)-2-[3-(trifluoromethyl)anilino]thiophene-3-carbonitrile Traditional Name: 4-amino-5-(2,4-dimethylbenzoyl)-2-[3-(trifluoromethyl)anilino]thiophene-3-carbonitrile Formula: C21H16F3N3OS MolecularWeight: 415.43145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=C(C(=C(S2)NC3=CC=CC(=C3)C(F)(F)F)C#N)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=C(C(=C(S2)NC3=CC=CC(=C3)C(F)(F)F)C#N)N)C

InChI

InChI=1S/C21H16F3N3OS/c1-11-6-7-15(12(2)8-11)18(28)19-17(26)16(10-25)20(29-19)27-14-5-3-4-13(9-14)21(22,23)24/h3-9,27H,26H2,1-2H3