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

Systemtic Name: 6,7-dimethoxy-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-3,4-dihydro-1H-isoquinoline Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-26-22(17-8-5-4-6-9-17)24-25-23(26)30-13-7-11-27-12-10-18-14-20(28-2)21(29-3)15-19(18)16-27/h4-6,8-9,14-15H,7,10-13,16H2,1-3H3