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

Systemtic Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 4-carbamothioylbenzenesulfonate Openeye Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 4-carbamothioylbenzenesulfonate CAS Name: 4-carbamothioylbenzenesulfonic acid [3-methyl-5-[2-(4-pyridazinylamino)ethoxy]phenyl] ester IUPAC Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 4-carbamothioylbenzenesulfonate Traditional Name: 4-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=C(C=C2)C(=S)N)OCCNC3=CN=NC=C3

Isomeric SMILES

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

InChI

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