3-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-N-phenethyl-benzamide

Systemtic Name: 3-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-N-phenethyl-benzamide Openeye Name: 3-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 3-[[[6-(4-fluorophenyl)-3-pyridazinyl]thio]methyl]-N-phenethylbenzamide IUPAC Name: 3-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-N-phenethylbenzamide Traditional Name: 3-[[[6-(4-fluorophenyl)pyridazin-3-yl]thio]methyl]-N-phenethyl-benzamide Formula: C26H22FN3OS MolecularWeight: 443.535783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H22FN3OS/c27-23-11-9-21(10-12-23)24-13-14-25(30-29-24)32-18-20-7-4-8-22(17-20)26(31)28-16-15-19-5-2-1-3-6-19/h1-14,17H,15-16,18H2,(H,28,31)