3-[[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[5-(4-isopropylphenyl)tetrazol-2-yl]methyl]benzonitrile CAS Name: 3-[[5-(4-propan-2-ylphenyl)-2-tetrazolyl]methyl]benzonitrile IUPAC Name: 3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]benzonitrile Traditional Name: 3-[(5-p-cumenyltetrazol-2-yl)methyl]benzonitrile Formula: C18H17N5 MolecularWeight: 303.36108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H17N5/c1-13(2)16-6-8-17(9-7-16)18-20-22-23(21-18)12-15-5-3-4-14(10-15)11-19/h3-10,13H,12H2,1-2H3