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

Systemtic Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one Openeye Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-[(2R)-2-methyl-1-piperidyl]propan-1-one CAS Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[(2R)-2-methyl-1-piperidinyl]-1-propanone IUPAC Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one Traditional Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-[(2R)-2-methylpiperidino]propan-1-one Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H]1CCCCN1C(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H24N4O2S/c1-13-5-3-4-11-21(13)16(23)10-12-22-17(19-20-18(22)25)14-6-8-15(24-2)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3,(H,20,25)/t13-/m1/s1