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

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-piperidin-1-yl-propan-1-one Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-(1-piperidyl)propan-1-one CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(1-piperidinyl)-1-propanone IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-piperidin-1-ylpropan-1-one Traditional Name: 1-piperidino-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propan-1-one Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCCCC3

InChI

InChI=1S/C18H24N4O2S/c1-2-24-15-8-6-14(7-9-15)17-19-20-18(25)22(17)13-10-16(23)21-11-4-3-5-12-21/h6-9H,2-5,10-13H2,1H3,(H,20,25)