4-chloranyl-5-[4-[2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-[2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-[2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[2-[(4-nitrophenyl)thio]-1-oxopropyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-[2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-[2-[(4-nitrophenyl)thio]propanoyl]piperazino]-2-phenyl-pyridazin-3-one Formula: C23H22ClN5O4S MolecularWeight: 499.96988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22ClN5O4S/c1-16(34-19-9-7-18(8-10-19)29(32)33)22(30)27-13-11-26(12-14-27)20-15-25-28(23(31)21(20)24)17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3