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

Systemtic Name: 3-[(2-methylphenoxy)methyl]-4-phenyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole hydrochloride Openeye Name: 3-[(2-methylphenoxy)methyl]-4-phenyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole hydrochloride CAS Name: 3-[(2-methylphenoxy)methyl]-4-phenyl-5-[2-(1-pyrrolidinyl)ethylthio]-1,2,4-triazole hydrochloride IUPAC Name: 3-[(2-methylphenoxy)methyl]-4-phenyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole hydrochloride Traditional Name: 3-[(2-methylphenoxy)methyl]-4-phenyl-5-(2-pyrrolidinoethylthio)-1,2,4-triazole hydrochloride Formula: C22H27ClN4OS MolecularWeight: 430.99398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4OS.ClH/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;1H