1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(2-phenoxyethyl)-1-piperazinyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(2-phenoxyethyl)piperazino]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2S/c28-20(17-30-22-23-21(24-25-22)18-7-3-1-4-8-18)27-13-11-26(12-14-27)15-16-29-19-9-5-2-6-10-19/h1-10H,11-17H2,(H,23,24,25)