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

Systemtic Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-7-(1-piperidylsulfonyl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-7-(1-piperidinylsulfonyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-7-piperidinosulfonyl-3,4-dihydro-1H-isoquinoline Formula: C26H33N5O2S2 MolecularWeight: 511.70252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H33N5O2S2/c1-29-25(22-9-4-2-5-10-22)27-28-26(29)34-18-8-14-30-17-13-21-11-12-24(19-23(21)20-30)35(32,33)31-15-6-3-7-16-31/h2,4-5,9-12,19H,3,6-8,13-18,20H2,1H3