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

Systemtic Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-piperidin-1-yl-propan-1-one Openeye Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-(1-piperidyl)propan-1-one CAS Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(1-piperidinyl)-1-propanone IUPAC Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-piperidin-1-ylpropan-1-one Traditional Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-piperidino-propan-1-one Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCCCC3

InChI

InChI=1S/C17H22N4O2S/c1-23-14-7-5-13(6-8-14)16-18-19-17(24)21(16)12-9-15(22)20-10-3-2-4-11-20/h5-8H,2-4,9-12H2,1H3,(H,19,24)