2-[6-(3,5-dimethyl-1H-pyrazol-4-yl)hexylsulfanyl]-1,3-benzoxazole

Systemtic Name: 2-[6-(3,5-dimethyl-1H-pyrazol-4-yl)hexylsulfanyl]-1,3-benzoxazole Openeye Name: 2-[6-(3,5-dimethyl-1H-pyrazol-4-yl)hexylsulfanyl]-1,3-benzoxazole CAS Name: 2-[6-(3,5-dimethyl-1H-pyrazol-4-yl)hexylthio]-1,3-benzoxazole IUPAC Name: 2-[6-(3,5-dimethyl-1H-pyrazol-4-yl)hexylsulfanyl]-1,3-benzoxazole Traditional Name: 2-[6-(3,5-dimethyl-1H-pyrazol-4-yl)hexylthio]-1,3-benzoxazole Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CCCCCCSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C(=NN1)C)CCCCCCSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H23N3OS/c1-13-15(14(2)21-20-13)9-5-3-4-8-12-23-18-19-16-10-6-7-11-17(16)22-18/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,20,21)