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

Systemtic Name: methyl 2-[[5-[(2-methoxycarbonylphenyl)-phenyl-methyl]sulfanyl-3-octyl-1,2,4-triazol-1-yl]-phenyl-methyl]benzoate Openeye Name: methyl 2-[[5-[(2-methoxycarbonylphenyl)-phenyl-methyl]sulfanyl-3-octyl-1,2,4-triazol-1-yl]-phenyl-methyl]benzoate CAS Name: 2-[[5-[[(2-methoxycarbonylphenyl)-phenylmethyl]thio]-3-octyl-1,2,4-triazol-1-yl]-phenylmethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-[(2-methoxycarbonylphenyl)-phenylmethyl]sulfanyl-3-octyl-1,2,4-triazol-1-yl]-phenylmethyl]benzoate Traditional Name: 2-[[5-[[(2-carbomethoxyphenyl)-phenyl-methyl]thio]-3-octyl-1,2,4-triazol-1-yl]-phenyl-methyl]benzoic acid methyl ester Formula: C40H43N3O4S MolecularWeight: 661.85212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=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

CCCCCCCCC1=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/C40H43N3O4S/c1-4-5-6-7-8-15-28-35-41-40(48-37(30-22-13-10-14-23-30)32-25-17-19-27-34(32)39(45)47-3)43(42-35)36(29-20-11-9-12-21-29)31-24-16-18-26-33(31)38(44)46-2/h9-14,16-27,36-37H,4-8,15,28H2,1-3H3