4-ethyl-3-(naphthalen-2-yloxymethyl)-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-(naphthalen-2-yloxymethyl)-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-(2-naphthyloxymethyl)-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole CAS Name: 4-ethyl-3-(2-naphthalenyloxymethyl)-5-[2-(1-pyrrolidinyl)ethylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(naphthalen-2-yloxymethyl)-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-(2-naphthoxymethyl)-5-(2-pyrrolidinoethylthio)-1,2,4-triazole Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCN2CCCC2)COC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCN1C(=NN=C1SCCN2CCCC2)COC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H26N4OS/c1-2-25-20(22-23-21(25)27-14-13-24-11-5-6-12-24)16-26-19-10-9-17-7-3-4-8-18(17)15-19/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3