[3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 3-carbamothioylbenzenesulfonate

Systemtic Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 3-carbamothioylbenzenesulfonate Openeye Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 3-carbamothioylbenzenesulfonate CAS Name: 3-carbamothioylbenzenesulfonic acid [3-methyl-5-[2-(4-pyridazinylamino)ethoxy]phenyl] ester IUPAC Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 3-carbamothioylbenzenesulfonate Traditional Name: 3-thiocarbamoylbenzenesulfonic acid [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] ester Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC(=C2)C(=S)N)OCCNC3=CN=NC=C3

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC(=C2)C(=S)N)OCCNC3=CN=NC=C3

InChI

InChI=1S/C20H20N4O4S2/c1-14-9-17(27-8-7-22-16-5-6-23-24-13-16)12-18(10-14)28-30(25,26)19-4-2-3-15(11-19)20(21)29/h2-6,9-13H,7-8H2,1H3,(H2,21,29)(H,22,23)