2-(phenylmethylsulfanyl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(phenylmethylsulfanyl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-benzylsulfanyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole CAS Name: 2-(phenylmethylthio)-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-benzylsulfanyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-(benzylthio)-5-(4-pyrrolidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC4=CC=CC=C4

InChI

InChI=1S/C19H19N3O3S2/c23-27(24,22-12-4-5-13-22)17-10-8-16(9-11-17)18-20-21-19(25-18)26-14-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2