5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]sulfanylpentyl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]sulfanylpentyl]-3-methyl-1,2-oxazole Openeye Name: 5-[5-[4-(4,5-dihydrooxazol-2-yl)phenyl]sulfanylpentyl]-3-methyl-isoxazole CAS Name: 5-[5-[[4-(4,5-dihydrooxazol-2-yl)phenyl]thio]pentyl]-3-methylisoxazole IUPAC Name: 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]sulfanylpentyl]-3-methyl-1,2-oxazole Traditional Name: 3-methyl-5-[5-[[4-(2-oxazolin-2-yl)phenyl]thio]pentyl]isoxazole Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CCCCCSC2=CC=C(C=C2)C3=NCCO3

Isomeric SMILES

CC1=NOC(=C1)CCCCCSC2=CC=C(C=C2)C3=NCCO3

InChI

InChI=1S/C18H22N2O2S/c1-14-13-16(22-20-14)5-3-2-4-12-23-17-8-6-15(7-9-17)18-19-10-11-21-18/h6-9,13H,2-5,10-12H2,1H3