3-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-5-cyclopropyl-1H-1,2,4-triazole

Systemtic Name: 3-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-5-cyclopropyl-1H-1,2,4-triazole Openeye Name: 5-cyclopropyl-3-[(2,3-difluorophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-cyclopropyl-3-[(2,3-difluorophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-cyclopropyl-3-[(2,3-difluorophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-cyclopropyl-3-[(2,3-difluorobenzyl)thio]-1H-1,2,4-triazole Formula: C12H11F2N3S MolecularWeight: 267.297646

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC3=C(C(=CC=C3)F)F

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC3=C(C(=CC=C3)F)F

InChI

InChI=1S/C12H11F2N3S/c13-9-3-1-2-8(10(9)14)6-18-12-15-11(16-17-12)7-4-5-7/h1-3,7H,4-6H2,(H,15,16,17)