2-(phenylmethyl)-4-[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phthalazin-1-one

Systemtic Name: 2-(phenylmethyl)-4-[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phthalazin-1-one Openeye Name: 2-benzyl-4-[5-[(4-isopropylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phthalazin-1-one CAS Name: 2-(phenylmethyl)-4-[5-[(4-propan-2-ylphenyl)methylthio]-1,3,4-oxadiazol-2-yl]-1-phthalazinone IUPAC Name: 2-benzyl-4-[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-benzyl-4-[5-[(4-isopropylbenzyl)thio]-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NN=C(O2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NN=C(O2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O2S/c1-18(2)21-14-12-20(13-15-21)17-34-27-29-28-25(33-27)24-22-10-6-7-11-23(22)26(32)31(30-24)16-19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3