1-[4-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazino]ethanone Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C(=O)C

InChI

InChI=1S/C17H23N5OS/c1-3-14-4-6-15(7-5-14)16-18-17(24)22(19-16)12-20-8-10-21(11-9-20)13(2)23/h4-7H,3,8-12H2,1-2H3,(H,18,19,24)