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

Systemtic Name: 3-nitro-4-[[1-(oxolan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]benzenecarbonitrile Openeye Name: 3-nitro-4-[1-(tetrahydrofuran-2-ylmethyl)tetrazol-5-yl]sulfanyl-benzonitrile CAS Name: 3-nitro-4-[[1-(2-oxolanylmethyl)-5-tetrazolyl]thio]benzonitrile IUPAC Name: 3-nitro-4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbenzonitrile Traditional Name: 3-nitro-4-[[1-(tetrahydrofurfuryl)tetrazol-5-yl]thio]benzonitrile Formula: C13H12N6O3S MolecularWeight: 332.33778

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=N2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CN2C(=NN=N2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O3S/c14-7-9-3-4-12(11(6-9)19(20)21)23-13-15-16-17-18(13)8-10-2-1-5-22-10/h3-4,6,10H,1-2,5,8H2