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

Systemtic Name: 3-butylsulfanyl-5-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-butylsulfanyl-5-[(4-chloro-3-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(butylthio)-5-[(4-chloro-3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole IUPAC Name: 3-butylsulfanyl-5-[(4-chloro-3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(butylthio)-5-[(4-chloro-3-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazole Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=CC=C2)COC3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=CC=C2)COC3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C20H22ClN3OS/c1-3-4-12-26-20-23-22-19(24(20)16-8-6-5-7-9-16)14-25-17-10-11-18(21)15(2)13-17/h5-11,13H,3-4,12,14H2,1-2H3