4-(5-chloranyl-2-methoxy-phenyl)-5-[(1-oxidanylidenephthalazin-2-yl)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(5-chloranyl-2-methoxy-phenyl)-5-[(1-oxidanylidenephthalazin-2-yl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(5-chloro-2-methoxy-phenyl)-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(5-chloro-2-methoxyphenyl)-5-[(1-oxo-2-phthalazinyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(5-chloro-2-methoxyphenyl)-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(5-chloro-2-methoxy-phenyl)-5-[(1-ketophthalazin-2-yl)methyl]-1,2,4-triazole-3-thiolate Formula: C18H13ClN5O2S- MolecularWeight: 398.84612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C(=NN=C2[S-])CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C(=NN=C2[S-])CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C18H14ClN5O2S/c1-26-15-7-6-12(19)8-14(15)24-16(21-22-18(24)27)10-23-17(25)13-5-3-2-4-11(13)9-20-23/h2-9H,10H2,1H3,(H,22,27)/p-1