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

Systemtic Name: 5-(1-adamantylcarbonyl)-4-azanyl-2-[(3-chlorophenyl)amino]thiophene-3-carbonitrile Openeye Name: 5-(adamantane-1-carbonyl)-4-amino-2-(3-chloroanilino)thiophene-3-carbonitrile CAS Name: 5-[1-adamantyl(oxo)methyl]-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile IUPAC Name: 5-(adamantane-1-carbonyl)-4-amino-2-(3-chloroanilino)thiophene-3-carbonitrile Traditional Name: 5-(adamantane-1-carbonyl)-4-amino-2-(3-chloroanilino)thiophene-3-carbonitrile Formula: C22H22ClN3OS MolecularWeight: 411.94758

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)Cl)C#N)N

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3OS/c23-15-2-1-3-16(7-15)26-21-17(11-24)18(25)19(28-21)20(27)22-8-12-4-13(9-22)6-14(5-12)10-22/h1-3,7,12-14,26H,4-6,8-10,25H2