2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine

Systemtic Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine Openeye Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine CAS Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-5-(trifluoromethyl)pyridine IUPAC Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine Traditional Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-5-(trifluoromethyl)pyridine Formula: C12H13F3N4S MolecularWeight: 302.31863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H13F3N4S/c1-11(2,3)9-17-10(19-18-9)20-8-5-4-7(6-16-8)12(13,14)15/h4-6H,1-3H3,(H,17,18,19)