methyl 4-[[3-[(4-methoxycarbonylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]benzoate

Systemtic Name: methyl 4-[[3-[(4-methoxycarbonylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]benzoate Openeye Name: methyl 4-[[3-[(4-methoxycarbonylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]benzoate CAS Name: 4-[[3-[(4-methoxycarbonylphenyl)methylthio]-1,2,4-triazol-4-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(4-methoxycarbonylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]benzoate Traditional Name: 4-[[3-[(4-carbomethoxybenzyl)thio]-1,2,4-triazol-4-yl]methyl]benzoic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=NN=C2SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=NN=C2SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19N3O4S/c1-26-18(24)16-7-3-14(4-8-16)11-23-13-21-22-20(23)28-12-15-5-9-17(10-6-15)19(25)27-2/h3-10,13H,11-12H2,1-2H3