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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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