2-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)ethyl 3,4,5-trimethoxybenzoate

Systemtic Name: 2-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)ethyl 3,4,5-trimethoxybenzoate Openeye Name: 2-(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)ethyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 2-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)ethyl ester IUPAC Name: 2-(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)ethyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 2-(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2C(=S)N=C(N2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2C(=S)N=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O5S/c1-25-15-11-14(12-16(26-2)17(15)27-3)19(24)28-10-9-23-20(29)21-18(22-23)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,21,22,29)