6-fluoranyl-3-[1-[4-(5-nitrothiophen-2-yl)sulfanylbutyl]piperidin-4-yl]-1,2-benzoxazole

Systemtic Name: 6-fluoranyl-3-[1-[4-(5-nitrothiophen-2-yl)sulfanylbutyl]piperidin-4-yl]-1,2-benzoxazole Openeye Name: 6-fluoro-3-[1-[4-[(5-nitro-2-thienyl)sulfanyl]butyl]-4-piperidyl]-1,2-benzoxazole CAS Name: 6-fluoro-3-[1-[4-[(5-nitro-2-thiophenyl)thio]butyl]-4-piperidinyl]-1,2-benzoxazole IUPAC Name: 6-fluoro-3-[1-[4-(5-nitrothiophen-2-yl)sulfanylbutyl]piperidin-4-yl]-1,2-benzoxazole Traditional Name: 6-fluoro-3-[1-[4-[(5-nitro-2-thienyl)thio]butyl]-4-piperidyl]indoxazene Formula: C20H22FN3O3S2 MolecularWeight: 435.535383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCCSC4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCCSC4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C20H22FN3O3S2/c21-15-3-4-16-17(13-15)27-22-20(16)14-7-10-23(11-8-14)9-1-2-12-28-19-6-5-18(29-19)24(25)26/h3-6,13-14H,1-2,7-12H2