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

Systemtic Name: 2-[3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: 2-[3-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: 2-[3-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: 2-[3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: 2-[3-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C26H28N6O2S2 MolecularWeight: 520.66952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C26H28N6O2S2/c1-31-25(21-7-5-13-27-18-21)28-29-26(31)35-16-6-14-32-15-12-20-10-11-24(17-22(20)19-32)36(33,34)30-23-8-3-2-4-9-23/h2-5,7-11,13,17-18,30H,6,12,14-16,19H2,1H3