4-[7-(1,3-benzothiazol-2-ylsulfanyl)heptyl]-3-methyl-1,2-oxazole

Systemtic Name: 4-[7-(1,3-benzothiazol-2-ylsulfanyl)heptyl]-3-methyl-1,2-oxazole Openeye Name: 4-[7-(1,3-benzothiazol-2-ylsulfanyl)heptyl]-3-methyl-isoxazole CAS Name: 4-[7-(1,3-benzothiazol-2-ylthio)heptyl]-3-methylisoxazole IUPAC Name: 4-[7-(1,3-benzothiazol-2-ylsulfanyl)heptyl]-3-methyl-1,2-oxazole Traditional Name: 4-[7-(1,3-benzothiazol-2-ylthio)heptyl]-3-methyl-isoxazole Formula: C18H22N2OS2 MolecularWeight: 346.51008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC=C1CCCCCCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=NOC=C1CCCCCCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H22N2OS2/c1-14-15(13-21-20-14)9-5-3-2-4-8-12-22-18-19-16-10-6-7-11-17(16)23-18/h6-7,10-11,13H,2-5,8-9,12H2,1H3