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

Systemtic Name: 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(2-phenoxyethyl)-1-piperazinyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(2-phenoxyethyl)piperazino]-2-[(1-phenyl-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=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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