1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone

Systemtic Name: 1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone CAS Name: 1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-[4-(4-mesyl-2-nitro-phenyl)piperazino]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone Formula: C18H24N6O5S2 MolecularWeight: 468.55036

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O5S2/c1-3-4-16-19-20-18(30)23(16)12-17(25)22-9-7-21(8-10-22)14-6-5-13(31(2,28)29)11-15(14)24(26)27/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,20,30)