N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[2-(4-methylsulfonyl-1-piperazinyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[2-(4-mesylpiperazino)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H22N6O3S2 MolecularWeight: 410.51428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C16H22N6O3S2/c1-20-12-17-19-16(20)26-11-15(23)18-13-5-3-4-6-14(13)21-7-9-22(10-8-21)27(2,24)25/h3-6,12H,7-11H2,1-2H3,(H,18,23)