3-[(2-methylphenoxy)methyl]-4-phenyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-[(2-methylphenoxy)methyl]-4-phenyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole Openeye Name: 3-[(2-methylphenoxy)methyl]-4-phenyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(2-methylphenoxy)methyl]-4-phenyl-5-[2-(1-pyrrolidinyl)ethylthio]-1,2,4-triazole IUPAC Name: 3-[(2-methylphenoxy)methyl]-4-phenyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole Traditional Name: 3-[(2-methylphenoxy)methyl]-4-phenyl-5-(2-pyrrolidinoethylthio)-1,2,4-triazole Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCCN4CCCC4

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCCN4CCCC4

InChI

InChI=1S/C22H26N4OS/c1-18-9-5-6-12-20(18)27-17-21-23-24-22(26(21)19-10-3-2-4-11-19)28-16-15-25-13-7-8-14-25/h2-6,9-12H,7-8,13-17H2,1H3