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

Systemtic Name: 4-butyl-3-[2-(4-chloranylphenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[2-(4-chlorophenoxy)ethylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[2-(4-chlorophenoxy)ethylthio]-1H-1,2,4-triazol-5-one Formula: C14H18ClN3O2S MolecularWeight: 327.82962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O2S/c1-2-3-8-18-13(19)16-17-14(18)21-10-9-20-12-6-4-11(15)5-7-12/h4-7H,2-3,8-10H2,1H3,(H,16,19)