2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate

Systemtic Name: 2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethyl ester IUPAC Name: 2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCCOC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C19H19N3O3S/c1-22-17(15-9-6-10-16(13-15)24-2)20-21-19(22)26-12-11-25-18(23)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3