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

Systemtic Name: 4-butyl-3-[2-(4-propoxyphenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-(4-propoxyphenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[2-(4-propoxyphenoxy)ethylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-(4-propoxyphenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[2-(4-propoxyphenoxy)ethylthio]-1H-1,2,4-triazol-5-one Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCCOC2=CC=C(C=C2)OCCC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCCOC2=CC=C(C=C2)OCCC

InChI

InChI=1S/C17H25N3O3S/c1-3-5-10-20-16(21)18-19-17(20)24-13-12-23-15-8-6-14(7-9-15)22-11-4-2/h6-9H,3-5,10-13H2,1-2H3,(H,18,21)