4-phenylsulfanylazetidin-2-one; 7-phenylsulfanyl-6-thiabicyclo[3.1.1]hepta-1(7),2,4-triene

Systemtic Name: 4-phenylsulfanylazetidin-2-one; 7-phenylsulfanyl-6-thiabicyclo[3.1.1]hepta-1(7),2,4-triene Openeye Name: 4-phenylsulfanylazetidin-2-one; 7-phenylsulfanyl-6-thiabicyclo[3.1.1]hepta-1(7),2,4-triene CAS Name: 4-(phenylthio)-2-azetidinone; 7-(phenylthio)-6-thiabicyclo[3.1.1]hepta-1(7),2,4-triene IUPAC Name: 4-phenylsulfanylazetidin-2-one; 7-phenylsulfanyl-6-thiabicyclo[3.1.1]hepta-1(7),2,4-triene Traditional Name: 4-(phenylthio)azetidin-2-one; 7-(phenylthio)-6-thiabicyclo[3.1.1]hepta-1(7),2,4-triene Formula: C21H17NOS3 MolecularWeight: 395.56078

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC1=O)SC2=CC=CC=C2.C1=CC=C(C=C1)SC2=C3C=CC=C2S3

Isomeric SMILES

C1C(NC1=O)SC2=CC=CC=C2.C1=CC=C(C=C1)SC2=C3C=CC=C2S3

InChI

InChI=1S/C12H8S2.C9H9NOS/c1-2-5-9(6-3-1)13-12-10-7-4-8-11(12)14-10;11-8-6-9(10-8)12-7-4-2-1-3-5-7/h1-8H;1-5,9H,6H2,(H,10,11)