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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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