4-[4-(4-methylphenyl)-5-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]morpholine

Systemtic Name: 4-[4-(4-methylphenyl)-5-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]morpholine Openeye Name: 4-[4-(p-tolyl)-5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]-1,2,4-triazol-3-yl]morpholine CAS Name: 4-[4-(4-methylphenyl)-5-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]-1,2,4-triazol-3-yl]morpholine IUPAC Name: 4-[4-(4-methylphenyl)-5-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]morpholine Traditional Name: 4-[4-(p-tolyl)-5-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]-1,2,4-triazol-3-yl]morpholine Formula: C22H26N6O3S2 MolecularWeight: 486.61024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4)N5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4)N5CCOCC5

InChI

InChI=1S/C22H26N6O3S2/c1-17-4-6-18(7-5-17)28-21(26-12-14-31-15-13-26)24-25-22(28)32-20-9-8-19(16-23-20)33(29,30)27-10-2-3-11-27/h4-9,16H,2-3,10-15H2,1H3