N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-chlorophenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-chlorophenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-chlorophenyl)sulfanyl-6-oxo-pyridazin-1-yl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-[(4-chlorophenyl)thio]-6-oxo-1-pyridazinyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide Traditional Name: 4-[3-[(4-chlorophenyl)thio]-6-keto-pyridazin-1-yl]-N-piperonyl-benzamide Formula: C25H18ClN3O4S MolecularWeight: 491.94612

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)N4C(=O)C=CC(=N4)SC5=CC=C(C=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)N4C(=O)C=CC(=N4)SC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H18ClN3O4S/c26-18-4-8-20(9-5-18)34-23-11-12-24(30)29(28-23)19-6-2-17(3-7-19)25(31)27-14-16-1-10-21-22(13-16)33-15-32-21/h1-13H,14-15H2,(H,27,31)