2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzonitrile CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzonitrile IUPAC Name: 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzonitrile Formula: C9H6N6O2S MolecularWeight: 262.24794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C9H6N6O2S/c1-14-9(11-12-13-14)18-8-3-2-7(15(16)17)4-6(8)5-10/h2-4H,1H3