4-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[1-(2,6-dimethylphenyl)-5-tetrazolyl]thio]methyl]benzonitrile IUPAC Name: 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[1-(2,6-dimethylphenyl)tetrazol-5-yl]thio]methyl]benzonitrile Formula: C17H15N5S MolecularWeight: 321.3995

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H15N5S/c1-12-4-3-5-13(2)16(12)22-17(19-20-21-22)23-11-15-8-6-14(10-18)7-9-15/h3-9H,11H2,1-2H3