2-[[5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[4-(4-methylpiperazino)sulfonylphenyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H24N6O3S2 MolecularWeight: 472.58366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)N

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)N

InChI

InChI=1S/C21H24N6O3S2/c1-25-11-13-26(14-12-25)32(29,30)18-9-7-16(8-10-18)20-23-24-21(31-15-19(22)28)27(20)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H2,22,28)