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

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-5-nitro-benzonitrile CAS Name: 2-[(1-cyclohexyl-5-tetrazolyl)thio]-5-nitrobenzonitrile IUPAC Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[(1-cyclohexyltetrazol-5-yl)thio]-5-nitro-benzonitrile Formula: C14H14N6O2S MolecularWeight: 330.36496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H14N6O2S/c15-9-10-8-12(20(21)22)6-7-13(10)23-14-16-17-18-19(14)11-4-2-1-3-5-11/h6-8,11H,1-5H2