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

Systemtic Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-7-(1-pyrrolidinylsulfonyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-7-pyrrolidinosulfonyl-3,4-dihydro-1H-isoquinoline Formula: C25H31N5O2S2 MolecularWeight: 497.67594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H31N5O2S2/c1-28-24(21-8-3-2-4-9-21)26-27-25(28)33-17-7-13-29-16-12-20-10-11-23(18-22(20)19-29)34(31,32)30-14-5-6-15-30/h2-4,8-11,18H,5-7,12-17,19H2,1H3