3-[2,6-bis(fluoranyl)phenyl]-5-(3-hexylthiophen-2-yl)-1-methyl-1,2,4-triazole

Systemtic Name: 3-[2,6-bis(fluoranyl)phenyl]-5-(3-hexylthiophen-2-yl)-1-methyl-1,2,4-triazole Openeye Name: 3-(2,6-difluorophenyl)-5-(3-hexyl-2-thienyl)-1-methyl-1,2,4-triazole CAS Name: 3-(2,6-difluorophenyl)-5-(3-hexyl-2-thiophenyl)-1-methyl-1,2,4-triazole IUPAC Name: 3-(2,6-difluorophenyl)-5-(3-hexylthiophen-2-yl)-1-methyl-1,2,4-triazole Traditional Name: 3-(2,6-difluorophenyl)-5-(3-hexyl-2-thienyl)-1-methyl-1,2,4-triazole Formula: C19H21F2N3S MolecularWeight: 361.451946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(SC=C1)C2=NC(=NN2C)C3=C(C=CC=C3F)F

Isomeric SMILES

CCCCCCC1=C(SC=C1)C2=NC(=NN2C)C3=C(C=CC=C3F)F

InChI

InChI=1S/C19H21F2N3S/c1-3-4-5-6-8-13-11-12-25-17(13)19-22-18(23-24(19)2)16-14(20)9-7-10-15(16)21/h7,9-12H,3-6,8H2,1-2H3