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

Systemtic Name: 2-[[1-(2,3-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-5-nitro-benzonitrile CAS Name: 2-[[1-(2,3-dimethylphenyl)-5-tetrazolyl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]thio]-5-nitro-benzonitrile Formula: C16H12N6O2S MolecularWeight: 352.37048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N6O2S/c1-10-4-3-5-14(11(10)2)21-16(18-19-20-21)25-15-7-6-13(22(23)24)8-12(15)9-17/h3-8H,1-2H3