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

Systemtic Name: (2R)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoate Openeye Name: (2R)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoate CAS Name: (2R)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoate IUPAC Name: (2R)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoate Traditional Name: (2R)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionate Formula: C12H12N3O3S- MolecularWeight: 278.30698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1C(=NNC1=S)C2=CC=C(C=C2)OC

Isomeric SMILES

C[C@H](C(=O)[O-])N1C(=NNC1=S)C2=CC=C(C=C2)OC

InChI

InChI=1S/C12H13N3O3S/c1-7(11(16)17)15-10(13-14-12(15)19)8-3-5-9(18-2)6-4-8/h3-7H,1-2H3,(H,14,19)(H,16,17)/p-1/t7-/m1/s1