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

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one Openeye Name: 1-(3,5-dimethyl-1-piperidyl)-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-(3,5-dimethyl-1-piperidinyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-propanone IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one Traditional Name: 1-(3,5-dimethylpiperidino)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propan-1-one Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CC(CC(C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CC(CC(C3)C)C

InChI

InChI=1S/C20H28N4O2S/c1-4-26-17-7-5-16(6-8-17)19-21-22-20(27)24(19)10-9-18(25)23-12-14(2)11-15(3)13-23/h5-8,14-15H,4,9-13H2,1-3H3,(H,22,27)