4-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(4-pyrrolidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile Formula: C20H18N4O3S2 MolecularWeight: 426.51192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3S2/c21-13-15-3-5-16(6-4-15)14-28-20-23-22-19(27-20)17-7-9-18(10-8-17)29(25,26)24-11-1-2-12-24/h3-10H,1-2,11-12,14H2