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

Systemtic Name: 2-[3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[3-[[4-methyl-5-(3-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-7-(1-piperidylsulfonyl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-[3-[[4-methyl-5-(3-thiophenyl)-1,2,4-triazol-3-yl]thio]propyl]-7-(1-piperidinylsulfonyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[3-[[4-methyl-5-(3-thienyl)-1,2,4-triazol-3-yl]thio]propyl]-7-piperidinosulfonyl-3,4-dihydro-1H-isoquinoline Formula: C24H31N5O2S3 MolecularWeight: 517.73024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O2S3/c1-27-23(20-9-15-32-18-20)25-26-24(27)33-14-5-10-28-13-8-19-6-7-22(16-21(19)17-28)34(30,31)29-11-3-2-4-12-29/h6-7,9,15-16,18H,2-5,8,10-14,17H2,1H3