1-[4-(diphenylmethyl)piperazin-1-yl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzhydrylpiperazino)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C28H30N6OS MolecularWeight: 498.6424

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C28H30N6OS/c1-2-34-27(24-13-15-29-16-14-24)30-31-28(34)36-21-25(35)32-17-19-33(20-18-32)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,26H,2,17-21H2,1H3