(5-ethanoyl-2-methoxy-phenyl)methyl 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate CAS Name: 4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

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