1-(4-phenylpiperazin-1-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-phenyl-1-piperazinyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-phenylpiperazino)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C19H20N6OS/c26-17(25-12-10-24(11-13-25)16-4-2-1-3-5-16)14-27-19-21-18(22-23-19)15-6-8-20-9-7-15/h1-9H,10-14H2,(H,21,22,23)