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

Systemtic Name: 1-[4-[4-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazino]phenyl]ethanone Formula: C19H21N5OS2 MolecularWeight: 399.53294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C(=S)N=C(N3)C4=CC=CS4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C(=S)N=C(N3)C4=CC=CS4

InChI

InChI=1S/C19H21N5OS2/c1-14(25)15-4-6-16(7-5-15)23-10-8-22(9-11-23)13-24-19(26)20-18(21-24)17-3-2-12-27-17/h2-7,12H,8-11,13H2,1H3,(H,20,21,26)