[4-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[4-[[6-(o-tolyl)pyridazin-3-yl]amino]phenyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[4-[[6-(2-methylphenyl)-3-pyridazinyl]amino]phenyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[4-[[6-(2-methylphenyl)pyridazin-3-yl]amino]phenyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[4-[[6-(o-tolyl)pyridazin-3-yl]amino]phenyl]piperazino]-(2-thienyl)methanone Formula: C26H25N5OS MolecularWeight: 455.5746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(C=C2)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(C=C2)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C26H25N5OS/c1-19-5-2-3-6-22(19)23-12-13-25(29-28-23)27-20-8-10-21(11-9-20)30-14-16-31(17-15-30)26(32)24-7-4-18-33-24/h2-13,18H,14-17H2,1H3,(H,27,29)