3-[4-[bis(fluoranyl)methoxy]phenyl]-4-[(4-butoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[4-[bis(fluoranyl)methoxy]phenyl]-4-[(4-butoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-butoxyphenyl)methyleneamino]-3-[4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(4-butoxyphenyl)methylideneamino]-3-[4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(4-butoxyphenyl)methylideneamino]-3-[4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(4-butoxybenzylidene)amino]-3-[4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione Formula: C20H20F2N4O2S MolecularWeight: 418.460206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=C(C=C3)OC(F)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=C(C=C3)OC(F)F

InChI

InChI=1S/C20H20F2N4O2S/c1-2-3-12-27-16-8-4-14(5-9-16)13-23-26-18(24-25-20(26)29)15-6-10-17(11-7-15)28-19(21)22/h4-11,13,19H,2-3,12H2,1H3,(H,25,29)