4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide

Systemtic Name: 4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide Openeye Name: N-(1-phenylethyl)-4-[[6-(p-tolyl)pyridazin-3-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[6-(4-methylphenyl)-3-pyridazinyl]thio]methyl]-N-(1-phenylethyl)benzamide IUPAC Name: 4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide Traditional Name: N-(1-phenylethyl)-4-[[[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=C(C=C3)C(=O)NC(C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3OS/c1-19-8-12-23(13-9-19)25-16-17-26(30-29-25)32-18-21-10-14-24(15-11-21)27(31)28-20(2)22-6-4-3-5-7-22/h3-17,20H,18H2,1-2H3,(H,28,31)