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

Systemtic Name: 4-(phenylmethyl)-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]phthalazin-1-one Openeye Name: 4-benzyl-2-[(2-thioxo-3H-1,3,4-oxadiazol-5-yl)methyl]phthalazin-1-one CAS Name: 4-(phenylmethyl)-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]-1-phthalazinone IUPAC Name: 4-benzyl-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]phthalazin-1-one Traditional Name: 4-benzyl-2-[(2-thioxo-3H-1,3,4-oxadiazol-5-yl)methyl]phthalazin-1-one Formula: C18H14N4O2S MolecularWeight: 350.39436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)CC4=NNC(=S)O4

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)CC4=NNC(=S)O4

InChI

InChI=1S/C18H14N4O2S/c23-17-14-9-5-4-8-13(14)15(10-12-6-2-1-3-7-12)21-22(17)11-16-19-20-18(25)24-16/h1-9H,10-11H2,(H,20,25)