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

Systemtic Name: 2-[[5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(3-methoxy-1-methyl-4-pyrazolyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[5-(3-methoxy-1-methylpyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C20H25N7O2S MolecularWeight: 427.5232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)OC)C2=NN=C(N2C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C(=N1)OC)C2=NN=C(N2C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H25N7O2S/c1-24-13-16(19(23-24)29-3)18-21-22-20(25(18)2)30-14-17(28)27-11-9-26(10-12-27)15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3