2-[2-ethoxy-4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[2-ethoxy-4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]-1-piperidin-1-yl-ethanone Openeye Name: 2-[2-ethoxy-4-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]-1-(1-piperidyl)ethanone CAS Name: 2-[2-ethoxy-4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[2-ethoxy-4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]-1-piperidin-1-ylethanone Traditional Name: 2-[2-ethoxy-4-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]-1-piperidino-ethanone Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OCC(=O)N3CCCCC3)OCC

Isomeric SMILES

CCC1=NNC(=S)N1/N=C\C2=CC(=C(C=C2)OCC(=O)N3CCCCC3)OCC

InChI

InChI=1S/C20H27N5O3S/c1-3-18-22-23-20(29)25(18)21-13-15-8-9-16(17(12-15)27-4-2)28-14-19(26)24-10-6-5-7-11-24/h8-9,12-13H,3-7,10-11,14H2,1-2H3,(H,23,29)/b21-13-