2-[4-(3-methylsulfanyl-6-piperazin-1-yl-5-propyl-pyridazin-4-yl)oxyphenyl]-4,5-dihydro-1,3-oxazole

Systemtic Name: 2-[4-(3-methylsulfanyl-6-piperazin-1-yl-5-propyl-pyridazin-4-yl)oxyphenyl]-4,5-dihydro-1,3-oxazole Openeye Name: 2-[4-(3-methylsulfanyl-6-piperazin-1-yl-5-propyl-pyridazin-4-yl)oxyphenyl]-4,5-dihydrooxazole CAS Name: 2-[4-[[3-(methylthio)-6-(1-piperazinyl)-5-propyl-4-pyridazinyl]oxy]phenyl]-4,5-dihydrooxazole IUPAC Name: 2-[4-(3-methylsulfanyl-6-piperazin-1-yl-5-propylpyridazin-4-yl)oxyphenyl]-4,5-dihydro-1,3-oxazole Traditional Name: 2-[4-[3-(methylthio)-6-piperazino-5-propyl-pyridazin-4-yl]oxyphenyl]-2-oxazoline Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN=C1N2CCNCC2)SC)OC3=CC=C(C=C3)C4=NCCO4

Isomeric SMILES

CCCC1=C(C(=NN=C1N2CCNCC2)SC)OC3=CC=C(C=C3)C4=NCCO4

InChI

InChI=1S/C21H27N5O2S/c1-3-4-17-18(21(29-2)25-24-19(17)26-12-9-22-10-13-26)28-16-7-5-15(6-8-16)20-23-11-14-27-20/h5-8,22H,3-4,9-14H2,1-2H3