(phenylmethyl) 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylethanoate Openeye Name: benzyl 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetate CAS Name: 2-[[6-[4-(1-imidazolyl)phenyl]-3-pyridazinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetate Traditional Name: 2-[[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]thio]acetic acid benzyl ester Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C22H18N4O2S/c27-22(28-14-17-4-2-1-3-5-17)15-29-21-11-10-20(24-25-21)18-6-8-19(9-7-18)26-13-12-23-16-26/h1-13,16H,14-15H2