4-[4-(4-methylphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine

Systemtic Name: 4-[4-(4-methylphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine Openeye Name: 4-[4-(p-tolyl)-5-[2-(4-pyridyl)ethylsulfanyl]-1,2,4-triazol-3-yl]morpholine CAS Name: 4-[4-(4-methylphenyl)-5-(2-pyridin-4-ylethylthio)-1,2,4-triazol-3-yl]morpholine IUPAC Name: 4-[4-(4-methylphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine Traditional Name: 4-[4-(p-tolyl)-5-[2-(4-pyridyl)ethylthio]-1,2,4-triazol-3-yl]morpholine Formula: C20H23N5OS MolecularWeight: 381.49452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCC3=CC=NC=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCC3=CC=NC=C3)N4CCOCC4

InChI

InChI=1S/C20H23N5OS/c1-16-2-4-18(5-3-16)25-19(24-11-13-26-14-12-24)22-23-20(25)27-15-8-17-6-9-21-10-7-17/h2-7,9-10H,8,11-15H2,1H3