2-(phenylmethyl)-4-[4-(pyrrolidin-1-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazol-2-yl]phthalazin-1-one

Systemtic Name: 2-(phenylmethyl)-4-[4-(pyrrolidin-1-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazol-2-yl]phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(pyrrolidin-1-ylmethyl)-5-thioxo-1,3,4-oxadiazol-2-yl]phthalazin-1-one CAS Name: 2-(phenylmethyl)-4-[4-(1-pyrrolidinylmethyl)-5-sulfanylidene-1,3,4-oxadiazol-2-yl]-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(pyrrolidin-1-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(pyrrolidinomethyl)-5-thioxo-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CN2C(=S)OC(=N2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CN2C(=S)OC(=N2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C22H21N5O2S/c28-21-18-11-5-4-10-17(18)19(23-26(21)14-16-8-2-1-3-9-16)20-24-27(22(30)29-20)15-25-12-6-7-13-25/h1-5,8-11H,6-7,12-15H2