2-[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl 3,4,5-trimethoxybenzoate

Systemtic Name: 2-[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl 3,4,5-trimethoxybenzoate Openeye Name: 2-[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]ethyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 2-[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl ester IUPAC Name: 2-[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 2-[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]ethyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=S)N(N2)CCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=S)N(N2)CCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H23N3O6S/c1-26-15-7-5-13(6-8-15)19-22-21(31)24(23-19)9-10-30-20(25)14-11-16(27-2)18(29-4)17(12-14)28-3/h5-8,11-12H,9-10H2,1-4H3,(H,22,23,31)