1-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]-4-(2-thienyl)tetrazol-5-one Formula: C17H17N7O4S MolecularWeight: 415.42638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CN3C(=O)N(N=N3)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CN3C(=O)N(N=N3)C4=CC=CS4

InChI

InChI=1S/C17H17N7O4S/c25-15(12-22-17(26)23(19-18-22)16-2-1-11-29-16)21-9-7-20(8-10-21)13-3-5-14(6-4-13)24(27)28/h1-6,11H,7-10,12H2