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

Systemtic Name: 2H-benzotriazol-5-yl-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]methanone Openeye Name: 2H-benzotriazol-5-yl-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]methanone CAS Name: 2H-benzotriazol-5-yl-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]methanone IUPAC Name: 2H-benzotriazol-5-yl-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]methanone Traditional Name: 2H-benzotriazol-5-yl-[4-(5-nitrothiophene-2-carbonyl)piperazino]methanone Formula: C16H14N6O4S MolecularWeight: 386.38516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=NNN=C3C=C2)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=NNN=C3C=C2)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O4S/c23-15(10-1-2-11-12(9-10)18-19-17-11)20-5-7-21(8-6-20)16(24)13-3-4-14(27-13)22(25)26/h1-4,9H,5-8H2,(H,17,18,19)