4-chloranyl-5-[4-(4,5-dimethylthiophen-2-yl)carbonylpiperazin-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-(4,5-dimethylthiophen-2-yl)carbonylpiperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-(4,5-dimethylthiophene-2-carbonyl)piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[(4,5-dimethyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-(4,5-dimethylthiophene-2-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-(4,5-dimethylthiophene-2-carbonyl)piperazino]-2-phenyl-pyridazin-3-one Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=C(SC(=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl)C

InChI

InChI=1S/C21H21ClN4O2S/c1-14-12-18(29-15(14)2)20(27)25-10-8-24(9-11-25)17-13-23-26(21(28)19(17)22)16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3