2-(4-methylphthalazin-1-yl)sulfanyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(4-methylphthalazin-1-yl)sulfanyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-(4-methylphthalazin-1-yl)sulfanyl-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-[(4-methyl-1-phthalazinyl)thio]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-(4-methylphthalazin-1-yl)sulfanyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(4-methylphthalazin-1-yl)thio]-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)SC3=NN=C(O3)C4=CC(=CC=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)SC3=NN=C(O3)C4=CC(=CC=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C22H21N5O3S2/c1-15-18-10-3-4-11-19(18)21(25-23-15)31-22-26-24-20(30-22)16-8-7-9-17(14-16)32(28,29)27-12-5-2-6-13-27/h3-4,7-11,14H,2,5-6,12-13H2,1H3