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

Systemtic Name: 6,7-bis(chloranyl)-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dichloro-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dichloro-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dichloro-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dichloro-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-3,4-dihydro-1H-isoquinoline Formula: C21H22Cl2N4S MolecularWeight: 433.39718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCN2CCC3=CC(=C(C=C3C2)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCCCN2CCC3=CC(=C(C=C3C2)Cl)Cl)C4=CC=CC=C4

InChI

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