1-(azepan-1-yl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-thiazol-5-yl]pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-[2-(4-methoxyphenyl)-4-methyl-5-thiazolyl]-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-[2-(4-methoxyphenyl)-4-methyl-thiazol-5-yl]pyridazin-3-yl]thio]ethanone Formula: C23H26N4O2S2 MolecularWeight: 454.60814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)OC)C3=NN=C(C=C3)SCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)OC)C3=NN=C(C=C3)SCC(=O)N4CCCCCC4

InChI

InChI=1S/C23H26N4O2S2/c1-16-22(31-23(24-16)17-7-9-18(29-2)10-8-17)19-11-12-20(26-25-19)30-15-21(28)27-13-5-3-4-6-14-27/h7-12H,3-6,13-15H2,1-2H3