2-[3-[[4-methyl-5-(4-methyl-1,3-thiazol-5-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-(4-methyl-1,3-thiazol-5-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-(4-methylthiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: 2-[3-[[4-methyl-5-(4-methyl-5-thiazolyl)-1,2,4-triazol-3-yl]thio]propyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: 2-[3-[[4-methyl-5-(4-methyl-1,3-thiazol-5-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-(4-methylthiazol-5-yl)-1,2,4-triazol-3-yl]thio]propyl]-N-phenyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C25H28N6O2S3 MolecularWeight: 540.72382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)C2=NN=C(N2C)SCCCN3CCC4=C(C3)C=C(C=C4)S(=O)(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC=N1)C2=NN=C(N2C)SCCCN3CCC4=C(C3)C=C(C=C4)S(=O)(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H28N6O2S3/c1-18-23(35-17-26-18)24-27-28-25(30(24)2)34-14-6-12-31-13-11-19-9-10-22(15-20(19)16-31)36(32,33)29-21-7-4-3-5-8-21/h3-5,7-10,15,17,29H,6,11-14,16H2,1-2H3