2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-allyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C15H19N7OS MolecularWeight: 345.42266

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN=C1SCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C=CCN1C=NN=C1SCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C15H19N7OS/c1-2-6-22-12-18-19-15(22)24-11-13(23)20-7-9-21(10-8-20)14-16-4-3-5-17-14/h2-5,12H,1,6-11H2