3-butan-2-ylsulfanyl-5-(phenoxymethyl)-1H-1,2,4-triazole

Systemtic Name: 3-butan-2-ylsulfanyl-5-(phenoxymethyl)-1H-1,2,4-triazole Openeye Name: 5-(phenoxymethyl)-3-sec-butylsulfanyl-1H-1,2,4-triazole CAS Name: 3-(butan-2-ylthio)-5-(phenoxymethyl)-1H-1,2,4-triazole IUPAC Name: 3-butan-2-ylsulfanyl-5-(phenoxymethyl)-1H-1,2,4-triazole Traditional Name: 5-(phenoxymethyl)-3-(sec-butylthio)-1H-1,2,4-triazole Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NNC(=N1)COC2=CC=CC=C2

Isomeric SMILES

CCC(C)SC1=NNC(=N1)COC2=CC=CC=C2

InChI

InChI=1S/C13H17N3OS/c1-3-10(2)18-13-14-12(15-16-13)9-17-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,15,16)