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

Systemtic Name: 2-[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl ethanoate Openeye Name: 2-[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]ethyl acetate CAS Name: acetic 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 acetate Traditional Name: acetic acid 2-[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]ethyl ester Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C(=S)N=C(N1)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)OCCN1C(=S)N=C(N1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C13H15N3O3S/c1-9(17)19-8-7-16-13(20)14-12(15-16)10-3-5-11(18-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,14,15,20)