2-(4-chlorophenyl)-6-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one

Systemtic Name: 2-(4-chlorophenyl)-6-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one Openeye Name: 2-(4-chlorophenyl)-6-[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]pyridazin-3-one CAS Name: 2-(4-chlorophenyl)-6-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)-3-pyridazinone IUPAC Name: 2-(4-chlorophenyl)-6-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one Traditional Name: 2-(4-chlorophenyl)-6-[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]pyridazin-3-one Formula: C19H19ClN4O3S2 MolecularWeight: 450.96216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CS2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CS2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H19ClN4O3S2/c20-15-4-6-16(7-5-15)24-18(25)9-8-17(21-24)22-10-2-11-23(13-12-22)29(26,27)19-3-1-14-28-19/h1,3-9,14H,2,10-13H2