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

Systemtic Name: 3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-phenethyl-benzamide Openeye Name: N-phenethyl-3-[[6-(p-tolyl)pyridazin-3-yl]sulfanylmethyl]benzamide CAS Name: 3-[[[6-(4-methylphenyl)-3-pyridazinyl]thio]methyl]-N-phenethylbenzamide IUPAC Name: 3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-phenethylbenzamide Traditional Name: N-phenethyl-3-[[[6-(p-tolyl)pyridazin-3-yl]thio]methyl]benzamide Formula: C27H25N3OS MolecularWeight: 439.5719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=CC=CC(=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=CC=CC(=C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3OS/c1-20-10-12-23(13-11-20)25-14-15-26(30-29-25)32-19-22-8-5-9-24(18-22)27(31)28-17-16-21-6-3-2-4-7-21/h2-15,18H,16-17,19H2,1H3,(H,28,31)