2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-tosylpiperazino)ethanone Formula: C20H23N7O3S2 MolecularWeight: 473.57172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NN=C(N3N)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NN=C(N3N)C4=CN=CC=C4

InChI

InChI=1S/C20H23N7O3S2/c1-15-4-6-17(7-5-15)32(29,30)26-11-9-25(10-12-26)18(28)14-31-20-24-23-19(27(20)21)16-3-2-8-22-13-16/h2-8,13H,9-12,14,21H2,1H3