3-[4-(2-chloranyl-5-methoxy-phenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-(2-chloranyl-5-methoxy-phenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one Openeye Name: 3-[4-(2-chloro-5-methoxy-phenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one CAS Name: 3-[4-(2-chloro-5-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(2-chloro-5-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one Traditional Name: 3-[4-(2-chloro-5-methoxy-phenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one Formula: C13H10ClN5O2S MolecularWeight: 335.7688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Cl)N2C(=NNC2=S)C3=NNC(=O)C=C3

Isomeric SMILES

COC1=CC(=C(C=C1)Cl)N2C(=NNC2=S)C3=NNC(=O)C=C3

InChI

InChI=1S/C13H10ClN5O2S/c1-21-7-2-3-8(14)10(6-7)19-12(17-18-13(19)22)9-4-5-11(20)16-15-9/h2-6H,1H3,(H,16,20)(H,18,22)