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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Formula: C18H15N5O2S MolecularWeight: 365.409

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NNC2=S)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NNC2=S)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C18H15N5O2S/c1-25-14-8-6-13(7-9-14)23-16(20-21-18(23)26)11-22-17(24)15-5-3-2-4-12(15)10-19-22/h2-10H,11H2,1H3,(H,21,26)