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

Systemtic Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C24H22N6O2S2 MolecularWeight: 490.60048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C24H22N6O2S2/c31-21(28-11-13-29(14-12-28)23(32)20-9-5-15-33-20)17-34-24-27-26-22(18-6-4-10-25-16-18)30(24)19-7-2-1-3-8-19/h1-10,15-16H,11-14,17H2