ethyl 2-[[5-[4-[3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1H-1,2,4-triazol-5-yl]phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[4-[3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1H-1,2,4-triazol-5-yl]phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[4-[3-(2-ethoxy-2-oxo-ethyl)sulfanyl-1H-1,2,4-triazol-5-yl]phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[4-[3-[(2-ethoxy-2-oxoethyl)thio]-1H-1,2,4-triazol-5-yl]phenyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[4-[3-(2-ethoxy-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-yl]phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[4-[3-[(2-ethoxy-2-keto-ethyl)thio]-1H-1,2,4-triazol-5-yl]phenyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C18H20N6O4S2 MolecularWeight: 448.5192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)C3=NC(=NN3)SCC(=O)OCC

Isomeric SMILES

CCOC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)C3=NC(=NN3)SCC(=O)OCC

InChI

InChI=1S/C18H20N6O4S2/c1-3-27-13(25)9-29-17-19-15(21-23-17)11-5-7-12(8-6-11)16-20-18(24-22-16)30-10-14(26)28-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,19,21,23)(H,20,22,24)