2-[2-chloranyl-6-methoxy-4-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[2-chloranyl-6-methoxy-4-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]-1-piperidin-1-yl-ethanone Openeye Name: 2-[2-chloro-6-methoxy-4-[[(5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]-1-(1-piperidyl)ethanone CAS Name: 2-[2-chloro-6-methoxy-4-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[2-chloro-6-methoxy-4-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]-1-piperidin-1-ylethanone Traditional Name: 2-[2-chloro-6-methoxy-4-[[(5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]-1-piperidino-ethanone Formula: C17H22ClN5O3S MolecularWeight: 411.90628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNN2C=NNC2=S)Cl)OCC(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C(=CC(=C1)CNN2C=NNC2=S)Cl)OCC(=O)N3CCCCC3

InChI

InChI=1S/C17H22ClN5O3S/c1-25-14-8-12(9-20-23-11-19-21-17(23)27)7-13(18)16(14)26-10-15(24)22-5-3-2-4-6-22/h7-8,11,20H,2-6,9-10H2,1H3,(H,21,27)