2-(4-methylphenyl)-5-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole

Systemtic Name: 2-(4-methylphenyl)-5-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole Openeye Name: 2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]-5-(p-tolyl)-1,3,4-oxadiazole CAS Name: 2-(4-methylphenyl)-5-[[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]methyl]-1,3,4-oxadiazole IUPAC Name: 2-(4-methylphenyl)-5-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole Traditional Name: 2-[[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]methyl]-5-(p-tolyl)-1,3,4-oxadiazole Formula: C20H23N5O3S2 MolecularWeight: 445.55832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C20H23N5O3S2/c1-15-3-5-16(6-4-15)20-23-22-18(28-20)14-29-19-8-7-17(13-21-19)30(26,27)25-11-9-24(2)10-12-25/h3-8,13H,9-12,14H2,1-2H3