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

Systemtic Name: 4-ethyl-3-[(3-methylphenoxy)methyl]-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-[(3-methylphenoxy)methyl]-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(3-methylphenoxy)methyl]-5-[2-(1-pyrrolidinyl)ethylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(3-methylphenoxy)methyl]-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-[(3-methylphenoxy)methyl]-5-(2-pyrrolidinoethylthio)-1,2,4-triazole Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCN2CCCC2)COC3=CC=CC(=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCCN2CCCC2)COC3=CC=CC(=C3)C

InChI

InChI=1S/C18H26N4OS/c1-3-22-17(14-23-16-8-6-7-15(2)13-16)19-20-18(22)24-12-11-21-9-4-5-10-21/h6-8,13H,3-5,9-12,14H2,1-2H3