2-(benzotriazol-1-yl)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-1-yl)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-(1-benzotriazolyl)-1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazino]ethanone Formula: C17H16N6O4S MolecularWeight: 400.41174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C3=CC=CC=C3N=N2)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CN2C3=CC=CC=C3N=N2)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O4S/c24-15(11-22-13-4-2-1-3-12(13)18-19-22)20-7-9-21(10-8-20)17(25)14-5-6-16(28-14)23(26)27/h1-6H,7-11H2