(3,5-dimethylphenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone

Systemtic Name: (3,5-dimethylphenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone Openeye Name: (3,5-dimethylphenyl)-[4-[6-(2-thienyl)pyridazin-3-yl]piperazin-1-yl]methanone CAS Name: (3,5-dimethylphenyl)-[4-(6-thiophen-2-yl-3-pyridazinyl)-1-piperazinyl]methanone IUPAC Name: (3,5-dimethylphenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone Traditional Name: (3,5-dimethylphenyl)-[4-[6-(2-thienyl)pyridazin-3-yl]piperazino]methanone Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4)C

InChI

InChI=1S/C21H22N4OS/c1-15-12-16(2)14-17(13-15)21(26)25-9-7-24(8-10-25)20-6-5-18(22-23-20)19-4-3-11-27-19/h3-6,11-14H,7-10H2,1-2H3