2-(phenylmethyl)-4-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)phthalazin-1-one

Systemtic Name: 2-(phenylmethyl)-4-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)phthalazin-1-one Openeye Name: 2-benzyl-4-(5-isopropylsulfanyl-1,3,4-oxadiazol-2-yl)phthalazin-1-one CAS Name: 2-(phenylmethyl)-4-[5-(propan-2-ylthio)-1,3,4-oxadiazol-2-yl]-1-phthalazinone IUPAC Name: 2-benzyl-4-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)phthalazin-1-one Traditional Name: 2-benzyl-4-[5-(isopropylthio)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C)SC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2S/c1-13(2)27-20-22-21-18(26-20)17-15-10-6-7-11-16(15)19(25)24(23-17)12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3