2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-piperidin-1-ylethanone Traditional Name: 1-piperidino-2-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCCCC3

InChI

InChI=1S/C17H22N4O2S/c1-2-23-14-8-6-13(7-9-14)16-18-19-17(24)21(16)12-15(22)20-10-4-3-5-11-20/h6-9H,2-5,10-12H2,1H3,(H,19,24)