2-(phenoxymethyl)-5-[1-(phenylmethyl)sulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole

Systemtic Name: 2-(phenoxymethyl)-5-[1-(phenylmethyl)sulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole Openeye Name: 2-(1-benzylsulfonylpyrrolidin-2-yl)-5-(phenoxymethyl)-1,3,4-thiadiazole CAS Name: 2-(phenoxymethyl)-5-[1-(phenylmethyl)sulfonyl-2-pyrrolidinyl]-1,3,4-thiadiazole IUPAC Name: 2-(1-benzylsulfonylpyrrolidin-2-yl)-5-(phenoxymethyl)-1,3,4-thiadiazole Traditional Name: 2-(1-benzylsulfonylpyrrolidin-2-yl)-5-(phenoxymethyl)-1,3,4-thiadiazole Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)C3=NN=C(S3)COC4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)C3=NN=C(S3)COC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S2/c24-28(25,15-16-8-3-1-4-9-16)23-13-7-12-18(23)20-22-21-19(27-20)14-26-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2