3-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1H-pyridazin-6-one Openeye Name: 3-[5-(azepan-1-ylsulfonyl)-2-thienyl]-1H-pyridazin-6-one CAS Name: 3-[5-(1-azepanylsulfonyl)-2-thiophenyl]-1H-pyridazin-6-one IUPAC Name: 3-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1H-pyridazin-6-one Traditional Name: 3-[5-(azepan-1-ylsulfonyl)-2-thienyl]-1H-pyridazin-6-one Formula: C14H17N3O3S2 MolecularWeight: 339.43308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NNC(=O)C=C3

InChI

InChI=1S/C14H17N3O3S2/c18-13-7-5-11(15-16-13)12-6-8-14(21-12)22(19,20)17-9-3-1-2-4-10-17/h5-8H,1-4,9-10H2,(H,16,18)