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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]benzamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-4-[6-oxo-3-(p-tolylsulfanyl)pyridazin-1-yl]benzamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-4-[3-[(4-methylphenyl)thio]-6-oxo-1-pyridazinyl]benzamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide Traditional Name: N-(1,1-diketothiolan-3-yl)-4-[6-keto-3-(p-tolylthio)pyridazin-1-yl]benzamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NC4CCS(=O)(=O)C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NC4CCS(=O)(=O)C4

InChI

InChI=1S/C22H21N3O4S2/c1-15-2-8-19(9-3-15)30-20-10-11-21(26)25(24-20)18-6-4-16(5-7-18)22(27)23-17-12-13-31(28,29)14-17/h2-11,17H,12-14H2,1H3,(H,23,27)