1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,4-dihydroisoquinoline

Systemtic Name: 1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,4-dihydroisoquinoline Openeye Name: 1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,4-dihydroisoquinoline CAS Name: 1-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-3,4-dihydroisoquinoline IUPAC Name: 1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,4-dihydroisoquinoline Traditional Name: 1-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-3,4-dihydroisoquinoline Formula: C14H13F3N4S MolecularWeight: 326.34003

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NCCC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCC2=NCCC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C14H13F3N4S/c1-21-12(14(15,16)17)19-20-13(21)22-8-11-10-5-3-2-4-9(10)6-7-18-11/h2-5H,6-8H2,1H3