3-[(2-butoxy-5-chloranyl-phenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole

Systemtic Name: 3-[(2-butoxy-5-chloranyl-phenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Openeye Name: 3-[(2-butoxy-5-chloro-phenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole CAS Name: 3-[(2-butoxy-5-chlorophenyl)methylthio]-5-methyl-1H-1,2,4-triazole IUPAC Name: 3-[(2-butoxy-5-chlorophenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Traditional Name: 3-[(2-butoxy-5-chloro-benzyl)thio]-5-methyl-1H-1,2,4-triazole Formula: C14H18ClN3OS MolecularWeight: 311.83022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Cl)CSC2=NNC(=N2)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Cl)CSC2=NNC(=N2)C

InChI

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