6-(benzotriazol-1-yl)-3-phenyl-5-thiophen-2-yl-cyclohex-2-en-1-one

Systemtic Name: 6-(benzotriazol-1-yl)-3-phenyl-5-thiophen-2-yl-cyclohex-2-en-1-one Openeye Name: 6-(benzotriazol-1-yl)-3-phenyl-5-(2-thienyl)cyclohex-2-en-1-one CAS Name: 6-(1-benzotriazolyl)-3-phenyl-5-thiophen-2-yl-1-cyclohex-2-enone IUPAC Name: 6-(benzotriazol-1-yl)-3-phenyl-5-thiophen-2-ylcyclohex-2-en-1-one Traditional Name: 6-(benzotriazol-1-yl)-3-phenyl-5-(2-thienyl)cyclohex-2-en-1-one Formula: C22H17N3OS MolecularWeight: 371.45488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)C=C1C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)C5=CC=CS5

Isomeric SMILES

C1C(C(C(=O)C=C1C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)C5=CC=CS5

InChI

InChI=1S/C22H17N3OS/c26-20-14-16(15-7-2-1-3-8-15)13-17(21-11-6-12-27-21)22(20)25-19-10-5-4-9-18(19)23-24-25/h1-12,14,17,22H,13H2