2-[3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline hydrochloride

Systemtic Name: 2-[3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline hydrochloride Openeye Name: 2-[3-[[4-methyl-5-(3-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline hydrochloride CAS Name: 2-[3-[[4-methyl-5-(3-thiophenyl)-1,2,4-triazol-3-yl]thio]propyl]-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline hydrochloride IUPAC Name: 2-[3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline hydrochloride Traditional Name: 2-[3-[[4-methyl-5-(3-thienyl)-1,2,4-triazol-3-yl]thio]propyl]-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline hydrochloride Formula: C20H22ClF3N4S2 MolecularWeight: 474.99369

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCN2CCC3=C(C2)C=CC(=C3)C(F)(F)F)C4=CSC=C4.Cl

Isomeric SMILES

CN1C(=NN=C1SCCCN2CCC3=C(C2)C=CC(=C3)C(F)(F)F)C4=CSC=C4.Cl

InChI

InChI=1S/C20H21F3N4S2.ClH/c1-26-18(16-6-10-28-13-16)24-25-19(26)29-9-2-7-27-8-5-14-11-17(20(21,22)23)4-3-15(14)12-27;/h3-4,6,10-11,13H,2,5,7-9,12H2,1H3;1H