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

Systemtic Name: 3-[3-(4-chloranyl-2-methyl-phenoxy)propyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-[3-(4-chloro-2-methyl-phenoxy)propyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[3-(4-chloro-2-methylphenoxy)propyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-[3-(4-chloro-2-methylphenoxy)propyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-[3-(4-chloro-2-methyl-phenoxy)propyl]-1H-1,2,4-triazole-5-thione Formula: C19H20ClN3OS MolecularWeight: 373.8996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC2=NNC(=S)N2CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC2=NNC(=S)N2CC3=CC=CC=C3

InChI

InChI=1S/C19H20ClN3OS/c1-14-12-16(20)9-10-17(14)24-11-5-8-18-21-22-19(25)23(18)13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,22,25)