ethyl 4-methyl-5-[3-(8-methyl-7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)propylsulfanyl]-1,2,4-triazole-3-carboxylate

Systemtic Name: ethyl 4-methyl-5-[3-(8-methyl-7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)propylsulfanyl]-1,2,4-triazole-3-carboxylate Openeye Name: ethyl 4-methyl-5-[3-[8-methyl-7-(1-piperidylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]propylsulfanyl]-1,2,4-triazole-3-carboxylate CAS Name: 4-methyl-5-[3-[8-methyl-7-(1-piperidinylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]propylthio]-1,2,4-triazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-[3-(8-methyl-7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)propylsulfanyl]-1,2,4-triazole-3-carboxylate Traditional Name: 4-methyl-5-[3-(8-methyl-7-piperidinosulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)propylthio]-1,2,4-triazole-3-carboxylic acid ethyl ester Formula: C24H35N5O4S2 MolecularWeight: 521.6958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN=C(N1C)SCCCN2CCC3=C(C2)C(=C(C=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=NN=C(N1C)SCCCN2CCC3=C(C2)C(=C(C=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C24H35N5O4S2/c1-4-33-23(30)22-25-26-24(27(22)3)34-16-8-12-28-15-11-19-9-10-21(18(2)20(19)17-28)35(31,32)29-13-6-5-7-14-29/h9-10H,4-8,11-17H2,1-3H3