1-[(4-fluorophenyl)methyl]-6-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-4,5-dihydropyridazine-3-carboxamide

Systemtic Name: 1-[(4-fluorophenyl)methyl]-6-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-4,5-dihydropyridazine-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide CAS Name: 1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(phenylmethylthio)ethyl]-4,5-dihydropyridazine-3-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(4-fluorobenzyl)-6-keto-4,5-dihydropyridazine-3-carboxamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(N=C1C(=O)NCCSCC2=CC=CC=C2)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CC(=O)N(N=C1C(=O)NCCSCC2=CC=CC=C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O2S/c22-18-8-6-16(7-9-18)14-25-20(26)11-10-19(24-25)21(27)23-12-13-28-15-17-4-2-1-3-5-17/h1-9H,10-15H2,(H,23,27)