3-phenyl-1-(5-phenylsulfanylpentyl)-5,6,7,7a-tetrahydro-4H-indol-2-one

Systemtic Name: 3-phenyl-1-(5-phenylsulfanylpentyl)-5,6,7,7a-tetrahydro-4H-indol-2-one Openeye Name: 3-phenyl-1-(5-phenylsulfanylpentyl)-5,6,7,7a-tetrahydro-4H-indol-2-one CAS Name: 3-phenyl-1-[5-(phenylthio)pentyl]-5,6,7,7a-tetrahydro-4H-indol-2-one IUPAC Name: 3-phenyl-1-(5-phenylsulfanylpentyl)-5,6,7,7a-tetrahydro-4H-indol-2-one Traditional Name: 3-phenyl-1-[5-(phenylthio)pentyl]-5,6,7,7a-tetrahydro-4H-indol-2-one Formula: C25H29NOS MolecularWeight: 391.56886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=O)N(C2C1)CCCCCSC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C(=O)N(C2C1)CCCCCSC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H29NOS/c27-25-24(20-12-4-1-5-13-20)22-16-8-9-17-23(22)26(25)18-10-3-11-19-28-21-14-6-2-7-15-21/h1-2,4-7,12-15,23H,3,8-11,16-19H2