methyl 4-[[5-[[2,6-bis(chloranyl)phenyl]methylsulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-[[2,6-bis(chloranyl)phenyl]methylsulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[(2,6-dichlorophenyl)methylthio]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[[(2,6-dichlorobenzyl)thio]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C25H21Cl2N3O2S2 MolecularWeight: 530.48914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CSCC4=C(C=CC=C4Cl)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CSCC4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C25H21Cl2N3O2S2/c1-32-24(31)18-12-10-17(11-13-18)14-34-25-29-28-23(30(25)19-6-3-2-4-7-19)16-33-15-20-21(26)8-5-9-22(20)27/h2-13H,14-16H2,1H3