methyl 2-[[3-hexyl-5-[(2-methoxycarbonylphenyl)-phenyl-methyl]sulfanyl-1,2,4-triazol-1-yl]-phenyl-methyl]benzoate

Systemtic Name: methyl 2-[[3-hexyl-5-[(2-methoxycarbonylphenyl)-phenyl-methyl]sulfanyl-1,2,4-triazol-1-yl]-phenyl-methyl]benzoate Openeye Name: methyl 2-[[3-hexyl-5-[(2-methoxycarbonylphenyl)-phenyl-methyl]sulfanyl-1,2,4-triazol-1-yl]-phenyl-methyl]benzoate CAS Name: 2-[[3-hexyl-5-[[(2-methoxycarbonylphenyl)-phenylmethyl]thio]-1,2,4-triazol-1-yl]-phenylmethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-hexyl-5-[(2-methoxycarbonylphenyl)-phenylmethyl]sulfanyl-1,2,4-triazol-1-yl]-phenylmethyl]benzoate Traditional Name: 2-[[5-[[(2-carbomethoxyphenyl)-phenyl-methyl]thio]-3-hexyl-1,2,4-triazol-1-yl]-phenyl-methyl]benzoic acid methyl ester Formula: C38H39N3O4S MolecularWeight: 633.79896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN(C(=N1)SC(C2=CC=CC=C2)C3=CC=CC=C3C(=O)OC)C(C4=CC=CC=C4)C5=CC=CC=C5C(=O)OC

Isomeric SMILES

CCCCCCC1=NN(C(=N1)SC(C2=CC=CC=C2)C3=CC=CC=C3C(=O)OC)C(C4=CC=CC=C4)C5=CC=CC=C5C(=O)OC

InChI

InChI=1S/C38H39N3O4S/c1-4-5-6-13-26-33-39-38(46-35(28-20-11-8-12-21-28)30-23-15-17-25-32(30)37(43)45-3)41(40-33)34(27-18-9-7-10-19-27)29-22-14-16-24-31(29)36(42)44-2/h7-12,14-25,34-35H,4-6,13,26H2,1-3H3