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

Systemtic Name: 5-nitro-2-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzenecarbonitrile Openeye Name: 2-(1-isopropyltetrazol-5-yl)sulfanyl-5-nitro-benzonitrile CAS Name: 5-nitro-2-[(1-propan-2-yl-5-tetrazolyl)thio]benzonitrile IUPAC Name: 5-nitro-2-(1-propan-2-yltetrazol-5-yl)sulfanylbenzonitrile Traditional Name: 2-[(1-isopropyltetrazol-5-yl)thio]-5-nitro-benzonitrile Formula: C11H10N6O2S MolecularWeight: 290.3011

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)N1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C11H10N6O2S/c1-7(2)16-11(13-14-15-16)20-10-4-3-9(17(18)19)5-8(10)6-12/h3-5,7H,1-2H3