2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyrazinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-p-cumenyl-1,2,4-triazol-3-yl)thio]-1-(4-pyrazin-2-ylpiperazino)ethanone Formula: C21H25N7OS MolecularWeight: 423.5345

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C=NN=C2SCC(=O)N3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C=NN=C2SCC(=O)N3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C21H25N7OS/c1-16(2)17-3-5-18(6-4-17)28-15-24-25-21(28)30-14-20(29)27-11-9-26(10-12-27)19-13-22-7-8-23-19/h3-8,13,15-16H,9-12,14H2,1-2H3