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

Systemtic Name: 4-(4-methylphenyl)-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]phthalazin-1-one Openeye Name: 4-(p-tolyl)-2-[(2-thioxo-3H-1,3,4-oxadiazol-5-yl)methyl]phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]phthalazin-1-one Traditional Name: 4-(p-tolyl)-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:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC4=NNC(=S)O4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC4=NNC(=S)O4

InChI

InChI=1S/C18H14N4O2S/c1-11-6-8-12(9-7-11)16-13-4-2-3-5-14(13)17(23)22(21-16)10-15-19-20-18(25)24-15/h2-9H,10H2,1H3,(H,20,25)