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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-methoxyphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-methoxyphenyl)sulfanyl-6-oxo-pyridazin-1-yl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-[(4-methoxyphenyl)thio]-6-oxo-1-pyridazinyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide Traditional Name: 4-[6-keto-3-[(4-methoxyphenyl)thio]pyridazin-1-yl]-N-piperonyl-benzamide Formula: C26H21N3O5S MolecularWeight: 487.52704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21N3O5S/c1-32-20-7-9-21(10-8-20)35-24-12-13-25(30)29(28-24)19-5-3-18(4-6-19)26(31)27-15-17-2-11-22-23(14-17)34-16-33-22/h2-14H,15-16H2,1H3,(H,27,31)