6-[[4-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methoxy]-2-phenyl-pyridazin-3-one

Systemtic Name: 6-[[4-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methoxy]-2-phenyl-pyridazin-3-one Openeye Name: 6-[(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)methoxy]-2-phenyl-pyridazin-3-one CAS Name: 6-[[4-ethyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methoxy]-2-phenyl-3-pyridazinone IUPAC Name: 6-[(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)methoxy]-2-phenylpyridazin-3-one Traditional Name: 6-[[5-(benzylthio)-4-ethyl-1,2,4-triazol-3-yl]methoxy]-2-phenyl-pyridazin-3-one Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2)COC3=NN(C(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2)COC3=NN(C(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-2-26-19(23-24-22(26)30-16-17-9-5-3-6-10-17)15-29-20-13-14-21(28)27(25-20)18-11-7-4-8-12-18/h3-14H,2,15-16H2,1H3