2-[[4-ethyl-5-(3-methoxy-1-methyl-pyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-ethyl-5-(3-methoxy-1-methyl-pyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-ethyl-5-(3-methoxy-1-methyl-pyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-ethyl-5-(3-methoxy-1-methyl-4-pyrazolyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(3-methoxy-1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-ethyl-5-(3-methoxy-1-methyl-pyrazol-4-yl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C21H27N7O2S MolecularWeight: 441.54978

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CN(N=C4OC)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CN(N=C4OC)C

InChI

InChI=1S/C21H27N7O2S/c1-4-28-19(17-14-25(2)24-20(17)30-3)22-23-21(28)31-15-18(29)27-12-10-26(11-13-27)16-8-6-5-7-9-16/h5-9,14H,4,10-13,15H2,1-3H3