N-(3-methylbutyl)-4-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(3-methylbutyl)-4-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide Openeye Name: N-isopentyl-4-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide CAS Name: N-(3-methylbutyl)-4-[[[6-(4-phenylphenyl)-3-pyridazinyl]thio]methyl]benzamide IUPAC Name: N-(3-methylbutyl)-4-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide Traditional Name: N-isoamyl-4-[[[6-(4-phenylphenyl)pyridazin-3-yl]thio]methyl]benzamide Formula: C29H29N3OS MolecularWeight: 467.62506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC=C(C=C1)CSC2=NN=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCNC(=O)C1=CC=C(C=C1)CSC2=NN=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H29N3OS/c1-21(2)18-19-30-29(33)26-10-8-22(9-11-26)20-34-28-17-16-27(31-32-28)25-14-12-24(13-15-25)23-6-4-3-5-7-23/h3-17,21H,18-20H2,1-2H3,(H,30,33)