3-butylsulfanyl-5-[(4-chloranyl-3-methyl-phenoxy)methyl]-1H-1,2,4-triazole

Systemtic Name: 3-butylsulfanyl-5-[(4-chloranyl-3-methyl-phenoxy)methyl]-1H-1,2,4-triazole Openeye Name: 3-butylsulfanyl-5-[(4-chloro-3-methyl-phenoxy)methyl]-1H-1,2,4-triazole CAS Name: 3-(butylthio)-5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazole IUPAC Name: 3-butylsulfanyl-5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazole Traditional Name: 3-(butylthio)-5-[(4-chloro-3-methyl-phenoxy)methyl]-1H-1,2,4-triazole Formula: C14H18ClN3OS MolecularWeight: 311.83022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NNC(=N1)COC2=CC(=C(C=C2)Cl)C

Isomeric SMILES

CCCCSC1=NNC(=N1)COC2=CC(=C(C=C2)Cl)C

InChI

InChI=1S/C14H18ClN3OS/c1-3-4-7-20-14-16-13(17-18-14)9-19-11-5-6-12(15)10(2)8-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,17,18)