3-[3-[(2-chloranylphenoxy)methyl]-4-methoxy-phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[3-[(2-chloranylphenoxy)methyl]-4-methoxy-phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[3-[(2-chlorophenoxy)methyl]-4-methoxy-phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[3-[(2-chlorophenoxy)methyl]-4-methoxy-phenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Formula: C24H22ClN3O2S MolecularWeight: 451.96838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=S)N2CCC3=CC=CC=C3)COC4=CC=CC=C4Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=S)N2CCC3=CC=CC=C3)COC4=CC=CC=C4Cl

InChI

InChI=1S/C24H22ClN3O2S/c1-29-21-12-11-18(15-19(21)16-30-22-10-6-5-9-20(22)25)23-26-27-24(31)28(23)14-13-17-7-3-2-4-8-17/h2-12,15H,13-14,16H2,1H3,(H,27,31)