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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=NN=C(S3)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=NN=C(S3)COC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S2/c1-15-9-11-17(12-10-15)28(24,25)23-13-5-8-18(23)20-22-21-19(27-20)14-26-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3