2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C22H23N5O2S2 MolecularWeight: 453.58032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C22H23N5O2S2/c28-19(25-10-12-26(13-11-25)21(29)18-7-4-14-30-18)15-31-22-24-23-20(16-8-9-16)27(22)17-5-2-1-3-6-17/h1-7,14,16H,8-13,15H2