4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]-N-(3-phenylpropyl)benzamide

Systemtic Name: 4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]-N-(3-phenylpropyl)benzamide Openeye Name: 4-[6-oxo-3-(p-tolylsulfanyl)pyridazin-1-yl]-N-(3-phenylpropyl)benzamide CAS Name: 4-[3-[(4-methylphenyl)thio]-6-oxo-1-pyridazinyl]-N-(3-phenylpropyl)benzamide IUPAC Name: 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)benzamide Traditional Name: 4-[6-keto-3-(p-tolylthio)pyridazin-1-yl]-N-(3-phenylpropyl)benzamide Formula: C27H25N3O2S MolecularWeight: 455.5713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O2S/c1-20-9-15-24(16-10-20)33-25-17-18-26(31)30(29-25)23-13-11-22(12-14-23)27(32)28-19-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-18H,5,8,19H2,1H3,(H,28,32)