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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)C=C1C2=CC=CS2)N3C4=CC=CC=C4N=N3)C5=CC=CC=C5

Isomeric SMILES

C1[C@H]([C@@H](C(=O)C=C1C2=CC=CS2)N3C4=CC=CC=C4N=N3)C5=CC=CC=C5

InChI

InChI=1S/C22H17N3OS/c26-20-14-16(21-11-6-12-27-21)13-17(15-7-2-1-3-8-15)22(20)25-19-10-5-4-9-18(19)23-24-25/h1-12,14,17,22H,13H2/t17-,22-/m0/s1