4-butyl-3-[2-(2-methylphenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[2-(2-methylphenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-(2-methylphenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[2-(2-methylphenoxy)ethylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-(2-methylphenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[2-(2-methylphenoxy)ethylthio]-1H-1,2,4-triazol-5-one Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCCOC2=CC=CC=C2C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCCOC2=CC=CC=C2C

InChI

InChI=1S/C15H21N3O2S/c1-3-4-9-18-14(19)16-17-15(18)21-11-10-20-13-8-6-5-7-12(13)2/h5-8H,3-4,9-11H2,1-2H3,(H,16,19)