N-cycloheptyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]benzamide

Systemtic Name: N-cycloheptyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]benzamide Openeye Name: N-cycloheptyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxo-pyridazin-1-yl]benzamide CAS Name: N-cycloheptyl-4-[3-[(4-methoxyphenyl)thio]-6-oxo-1-pyridazinyl]benzamide IUPAC Name: N-cycloheptyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide Traditional Name: N-cycloheptyl-4-[6-keto-3-[(4-methoxyphenyl)thio]pyridazin-1-yl]benzamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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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)NC4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NC4CCCCCC4

InChI

InChI=1S/C25H27N3O3S/c1-31-21-12-14-22(15-13-21)32-23-16-17-24(29)28(27-23)20-10-8-18(9-11-20)25(30)26-19-6-4-2-3-5-7-19/h8-17,19H,2-7H2,1H3,(H,26,30)