2-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]piperazino]-1-pyrrolidino-ethanone Formula: C20H26N6O2S MolecularWeight: 414.52444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)CSC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)CSC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C20H26N6O2S/c27-18(24-8-4-5-9-24)14-23-10-12-25(13-11-23)19(28)15-29-20-22-21-16-26(20)17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-15H2