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

Systemtic Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine dihydrochloride Openeye Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine dihydrochloride CAS Name: 2-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]pyridine dihydrochloride IUPAC Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine dihydrochloride Traditional Name: 2-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]pyridine dihydrochloride Formula: C12H18Cl2N4S MolecularWeight: 321.26912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC2=CC=CC=N2.Cl.Cl

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC2=CC=CC=N2.Cl.Cl

InChI

InChI=1S/C12H16N4S.2ClH/c1-12(2,3)10-14-11(16-15-10)17-8-9-6-4-5-7-13-9;;/h4-7H,8H2,1-3H3,(H,14,15,16);2*1H