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

Systemtic Name: 2-[[4-(5-chloranyl-2-methoxy-phenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(5-chloro-2-methoxy-phenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(5-chloro-2-methoxy-phenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Formula: C18H14ClN5O2S MolecularWeight: 399.85406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C(=NNC2=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)