3-[bis(4-fluorophenyl)methylsulfanyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[bis(4-fluorophenyl)methylsulfanyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[bis(4-fluorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazole CAS Name: 3-[bis(4-fluorophenyl)methylthio]-5-methyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[bis(4-fluorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazole Traditional Name: 4-benzyl-3-[bis(4-fluorophenyl)methylthio]-5-methyl-1,2,4-triazole Formula: C23H19F2N3S MolecularWeight: 407.478866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H19F2N3S/c1-16-26-27-23(28(16)15-17-5-3-2-4-6-17)29-22(18-7-11-20(24)12-8-18)19-9-13-21(25)14-10-19/h2-14,22H,15H2,1H3