3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-1H-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-1H-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(2-fluorophenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-fluorophenyl)-1H-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(2-fluorophenyl)-1H-1,2,4-triazole Formula: C19H20FN3S MolecularWeight: 341.445603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3F

InChI

InChI=1S/C19H20FN3S/c1-19(2,3)14-10-8-13(9-11-14)12-24-18-21-17(22-23-18)15-6-4-5-7-16(15)20/h4-11H,12H2,1-3H3,(H,21,22,23)