5-(1-adamantylcarbonyl)-4-azanyl-2-[[3-(trifluoromethyl)phenyl]amino]thiophene-3-carbonitrile

Systemtic Name: 5-(1-adamantylcarbonyl)-4-azanyl-2-[[3-(trifluoromethyl)phenyl]amino]thiophene-3-carbonitrile Openeye Name: 5-(adamantane-1-carbonyl)-4-amino-2-[3-(trifluoromethyl)anilino]thiophene-3-carbonitrile CAS Name: 5-[1-adamantyl(oxo)methyl]-4-amino-2-[3-(trifluoromethyl)anilino]-3-thiophenecarbonitrile IUPAC Name: 5-(adamantane-1-carbonyl)-4-amino-2-[3-(trifluoromethyl)anilino]thiophene-3-carbonitrile Traditional Name: 5-(adamantane-1-carbonyl)-4-amino-2-[3-(trifluoromethyl)anilino]thiophene-3-carbonitrile Formula: C23H22F3N3OS MolecularWeight: 445.50049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C4=C(C(=C(S4)NC5=CC=CC(=C5)C(F)(F)F)C#N)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C4=C(C(=C(S4)NC5=CC=CC(=C5)C(F)(F)F)C#N)N

InChI

InChI=1S/C23H22F3N3OS/c24-23(25,26)15-2-1-3-16(7-15)29-21-17(11-27)18(28)19(31-21)20(30)22-8-12-4-13(9-22)6-14(5-12)10-22/h1-3,7,12-14,29H,4-6,8-10,28H2