3-phenethylsulfanyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-one

Systemtic Name: 3-phenethylsulfanyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-one Openeye Name: 3-phenethylsulfanyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-one CAS Name: 3-(phenethylthio)-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-pyrazinone IUPAC Name: 3-phenethylsulfanyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazin-2-one Traditional Name: 3-(phenethylthio)-1-[4-(2-pyrrolidinoethoxy)phenyl]pyrazin-2-one Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)N3C=CN=C(C3=O)SCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)N3C=CN=C(C3=O)SCCC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2S/c28-24-23(30-19-12-20-6-2-1-3-7-20)25-13-16-27(24)21-8-10-22(11-9-21)29-18-17-26-14-4-5-15-26/h1-3,6-11,13,16H,4-5,12,14-15,17-19H2