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

Systemtic Name: 2-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-5-nitro-benzonitrile CAS Name: 2-[[1-(4-butylphenyl)-5-tetrazolyl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[[1-(4-butylphenyl)tetrazol-5-yl]thio]-5-nitro-benzonitrile Formula: C18H16N6O2S MolecularWeight: 380.42364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H16N6O2S/c1-2-3-4-13-5-7-15(8-6-13)23-18(20-21-22-23)27-17-10-9-16(24(25)26)11-14(17)12-19/h5-11H,2-4H2,1H3