(6R,7S)-7-(benzotriazol-1-yl)-6-phenyl-5-thia-1-azabicyclo[4.2.0]octan-8-one

Systemtic Name: (6R,7S)-7-(benzotriazol-1-yl)-6-phenyl-5-thia-1-azabicyclo[4.2.0]octan-8-one Openeye Name: (6R,7S)-7-(benzotriazol-1-yl)-6-phenyl-5-thia-1-azabicyclo[4.2.0]octan-8-one CAS Name: (6R,7S)-7-(1-benzotriazolyl)-6-phenyl-5-thia-1-azabicyclo[4.2.0]octan-8-one IUPAC Name: (6R,7S)-7-(benzotriazol-1-yl)-6-phenyl-5-thia-1-azabicyclo[4.2.0]octan-8-one Traditional Name: (6R,7S)-7-(benzotriazol-1-yl)-6-phenyl-5-thia-1-azabicyclo[4.2.0]octan-8-one Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=O)C(C2(SC1)C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN2C(=O)[C@@H]([C@]2(SC1)C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C18H16N4OS/c23-17-16(22-15-10-5-4-9-14(15)19-20-22)18(13-7-2-1-3-8-13)21(17)11-6-12-24-18/h1-5,7-10,16H,6,11-12H2/t16-,18+/m0/s1