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

Systemtic Name: 4-[2,4-bis(fluoranyl)phenyl]-3-[(3,4-dimethylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(2,4-difluorophenyl)-3-[(3,4-dimethylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-(2,4-difluorophenyl)-3-[(3,4-dimethylphenyl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(2,4-difluorophenyl)-3-[(3,4-dimethylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-(2,4-difluorophenyl)-3-[(3,4-dimethylbenzyl)thio]-5-phenyl-1,2,4-triazole Formula: C23H19F2N3S MolecularWeight: 407.478866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC2=NN=C(N2C3=C(C=C(C=C3)F)F)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)CSC2=NN=C(N2C3=C(C=C(C=C3)F)F)C4=CC=CC=C4)C

InChI

InChI=1S/C23H19F2N3S/c1-15-8-9-17(12-16(15)2)14-29-23-27-26-22(18-6-4-3-5-7-18)28(23)21-11-10-19(24)13-20(21)25/h3-13H,14H2,1-2H3