1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone

Systemtic Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone CAS Name: 1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-[4-(3-nitrophenyl)sulfonylpiperazino]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone Formula: C17H22N6O5S2 MolecularWeight: 454.52378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O5S2/c1-2-4-15-18-19-17(29)22(15)12-16(24)20-7-9-21(10-8-20)30(27,28)14-6-3-5-13(11-14)23(25)26/h3,5-6,11H,2,4,7-10,12H2,1H3,(H,19,29)