4-methyl-5-[2-[(7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]prop-2-enylsulfanyl]-1,2,4-triazol-3-amine

Systemtic Name: 4-methyl-5-[2-[(7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]prop-2-enylsulfanyl]-1,2,4-triazol-3-amine Openeye Name: 4-methyl-5-[2-[[7-(1-piperidylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]allylsulfanyl]-1,2,4-triazol-3-amine CAS Name: 4-methyl-5-[2-[[7-(1-piperidinylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]prop-2-enylthio]-1,2,4-triazol-3-amine IUPAC Name: 4-methyl-5-[2-[(7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]prop-2-enylsulfanyl]-1,2,4-triazol-3-amine Traditional Name: [4-methyl-5-[2-[(7-piperidinosulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]allylthio]-1,2,4-triazol-3-yl]amine Formula: C21H30N6O2S2 MolecularWeight: 462.6319

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=C)CN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCCC4)N

Isomeric SMILES

CN1C(=NN=C1SCC(=C)CN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCCC4)N

InChI

InChI=1S/C21H30N6O2S2/c1-16(15-30-21-24-23-20(22)25(21)2)13-26-11-8-17-6-7-19(12-18(17)14-26)31(28,29)27-9-4-3-5-10-27/h6-7,12H,1,3-5,8-11,13-15H2,2H3,(H2,22,23)