N,4-dimethyl-5-[3-(7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)propylsulfanyl]-1,2,4-triazol-3-amine

Systemtic Name: N,4-dimethyl-5-[3-(7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)propylsulfanyl]-1,2,4-triazol-3-amine Openeye Name: N,4-dimethyl-5-[3-[7-(1-piperidylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]propylsulfanyl]-1,2,4-triazol-3-amine CAS Name: N,4-dimethyl-5-[3-[7-(1-piperidinylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]propylthio]-1,2,4-triazol-3-amine IUPAC Name: N,4-dimethyl-5-[3-(7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)propylsulfanyl]-1,2,4-triazol-3-amine Traditional Name: methyl-[4-methyl-5-[3-(7-piperidinosulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)propylthio]-1,2,4-triazol-3-yl]amine Formula: C21H32N6O2S2 MolecularWeight: 464.64778

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(N1C)SCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CNC1=NN=C(N1C)SCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H32N6O2S2/c1-22-20-23-24-21(25(20)2)30-14-6-10-26-13-9-17-7-8-19(15-18(17)16-26)31(28,29)27-11-4-3-5-12-27/h7-8,15H,3-6,9-14,16H2,1-2H3,(H,22,23)