6-[4-(5-chloranylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 6-[4-(5-chloranylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 6-[4-[(5-chloro-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 6-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1,4-diazepan-1-yl]-2-phenyl-3-pyridazinone IUPAC Name: 6-[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one Traditional Name: 6-[4-[(5-chloro-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]-2-phenyl-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=C(S2)Cl)C3=NN(C(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(S2)Cl)C3=NN(C(=O)C=C3)C4=CC=CC=C4

InChI

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