4-butyl-3-[(2-ethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[(2-ethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(2-ethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(2-ethoxyphenyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(2-ethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(2-ethoxybenzyl)thio]-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=C1SCC2=CC=CC=C2OCC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC=CC=C2OCC

InChI

InChI=1S/C15H21N3O2S/c1-3-5-10-18-14(19)16-17-15(18)21-11-12-8-6-7-9-13(12)20-4-2/h6-9H,3-5,10-11H2,1-2H3,(H,16,19)