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

Systemtic Name: 2-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 5-nitro-2-[1-(p-tolyl)tetrazol-5-yl]sulfanyl-benzonitrile CAS Name: 2-[[1-(4-methylphenyl)-5-tetrazolyl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-5-nitrobenzonitrile Traditional Name: 5-nitro-2-[[1-(p-tolyl)tetrazol-5-yl]thio]benzonitrile Formula: C15H10N6O2S MolecularWeight: 338.3439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H10N6O2S/c1-10-2-4-12(5-3-10)20-15(17-18-19-20)24-14-7-6-13(21(22)23)8-11(14)9-16/h2-8H,1H3