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

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-phenyl-1-piperazinyl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-phenylpiperazino)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C25H24N6OS MolecularWeight: 456.56266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C25H24N6OS/c32-23(30-16-14-29(15-17-30)21-9-3-1-4-10-21)19-33-25-28-27-24(20-8-7-13-26-18-20)31(25)22-11-5-2-6-12-22/h1-13,18H,14-17,19H2