6,7-bis(chloranyl)-2-[3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline hydrochloride

Systemtic Name: 6,7-bis(chloranyl)-2-[3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline hydrochloride Openeye Name: 6,7-dichloro-2-[3-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline hydrochloride CAS Name: 6,7-dichloro-2-[3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]propyl]-3,4-dihydro-1H-isoquinoline hydrochloride IUPAC Name: 6,7-dichloro-2-[3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline hydrochloride Traditional Name: 6,7-dichloro-2-[3-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]propyl]-3,4-dihydro-1H-isoquinoline hydrochloride Formula: C22H25Cl3N4S MolecularWeight: 483.8847

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCCCN3CCC4=CC(=C(C=C4C3)Cl)Cl.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCCCN3CCC4=CC(=C(C=C4C3)Cl)Cl.Cl

InChI

InChI=1S/C22H24Cl2N4S.ClH/c1-15-4-6-16(7-5-15)21-25-26-22(27(21)2)29-11-3-9-28-10-8-17-12-19(23)20(24)13-18(17)14-28;/h4-7,12-13H,3,8-11,14H2,1-2H3;1H