2-(2H-1,2,3,4-tetrazol-5-ylmethyl)adamantane-2-carbonitrile

Systemtic Name: 2-(2H-1,2,3,4-tetrazol-5-ylmethyl)adamantane-2-carbonitrile Openeye Name: 2-(2H-tetrazol-5-ylmethyl)adamantane-2-carbonitrile CAS Name: 2-(2H-tetrazol-5-ylmethyl)-2-adamantanecarbonitrile IUPAC Name: 2-(2H-tetrazol-5-ylmethyl)adamantane-2-carbonitrile Traditional Name: 2-(2H-tetrazol-5-ylmethyl)adamantane-2-carbonitrile Formula: C13H17N5 MolecularWeight: 243.30758

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(CC4=NNN=N4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3(CC4=NNN=N4)C#N

InChI

InChI=1S/C13H17N5/c14-7-13(6-12-15-17-18-16-12)10-2-8-1-9(4-10)5-11(13)3-8/h8-11H,1-6H2,(H,15,16,17,18)