1-[4-nitro-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]phenyl]piperazin-4-ium

Systemtic Name: 1-[4-nitro-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]phenyl]piperazin-4-ium Openeye Name: 1-[4-nitro-3-(1-phenyltetrazol-5-yl)sulfanyl-phenyl]piperazin-4-ium CAS Name: 1-[4-nitro-3-[(1-phenyl-5-tetrazolyl)thio]phenyl]piperazin-4-ium IUPAC Name: 1-[4-nitro-3-(1-phenyltetrazol-5-yl)sulfanylphenyl]piperazin-4-ium Traditional Name: 1-[4-nitro-3-[(1-phenyltetrazol-5-yl)thio]phenyl]piperazin-4-ium Formula: C17H18N7O2S+ MolecularWeight: 384.43552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C17H17N7O2S/c25-24(26)15-7-6-14(22-10-8-18-9-11-22)12-16(15)27-17-19-20-21-23(17)13-4-2-1-3-5-13/h1-7,12,18H,8-11H2/p+1