7,8-bis(chloranyl)-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline hydrochloride

Systemtic Name: 7,8-bis(chloranyl)-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline hydrochloride Openeye Name: 7,8-dichloro-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline hydrochloride CAS Name: 7,8-dichloro-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-3,4-dihydro-1H-isoquinoline hydrochloride IUPAC Name: 7,8-dichloro-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline hydrochloride Traditional Name: 7,8-dichloro-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-3,4-dihydro-1H-isoquinoline hydrochloride Formula: C21H23Cl3N4S MolecularWeight: 469.85812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N4S.ClH/c1-26-20(16-6-3-2-4-7-16)24-25-21(26)28-13-5-11-27-12-10-15-8-9-18(22)19(23)17(15)14-27;/h2-4,6-9H,5,10-14H2,1H3;1H