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

Systemtic Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] thiophene-2-sulfonate Openeye Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [3-methyl-5-[2-(4-pyridazinylamino)ethoxy]phenyl] ester IUPAC Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] ester Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CS2)OCCNC3=CN=NC=C3

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CS2)OCCNC3=CN=NC=C3

InChI

InChI=1S/C17H17N3O4S2/c1-13-9-15(23-7-6-18-14-4-5-19-20-12-14)11-16(10-13)24-26(21,22)17-3-2-8-25-17/h2-5,8-12H,6-7H2,1H3,(H,18,19)