3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-piperidin-1-ylethyl)benzamide

Systemtic Name: 3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-piperidin-1-ylethyl)benzamide Openeye Name: N-[2-(1-piperidyl)ethyl]-3-[[6-(p-tolyl)pyridazin-3-yl]sulfanylmethyl]benzamide CAS Name: 3-[[[6-(4-methylphenyl)-3-pyridazinyl]thio]methyl]-N-[2-(1-piperidinyl)ethyl]benzamide IUPAC Name: 3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-piperidin-1-ylethyl)benzamide Traditional Name: N-(2-piperidinoethyl)-3-[[[6-(p-tolyl)pyridazin-3-yl]thio]methyl]benzamide Formula: C26H30N4OS MolecularWeight: 446.6076

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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)NCCN4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=CC=CC(=C3)C(=O)NCCN4CCCCC4

InChI

InChI=1S/C26H30N4OS/c1-20-8-10-22(11-9-20)24-12-13-25(29-28-24)32-19-21-6-5-7-23(18-21)26(31)27-14-17-30-15-3-2-4-16-30/h5-13,18H,2-4,14-17,19H2,1H3,(H,27,31)