2-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]pyridine-3-carbonitrile

Systemtic Name: 2-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]pyridine-3-carbonitrile Openeye Name: 2-[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanylpyridine-3-carbonitrile CAS Name: 2-[[1-(4-propan-2-ylphenyl)-5-tetrazolyl]thio]-3-pyridinecarbonitrile IUPAC Name: 2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[(1-p-cumenyltetrazol-5-yl)thio]nicotinonitrile Formula: C16H14N6S MolecularWeight: 322.38756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=CC=N3)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=CC=N3)C#N

InChI

InChI=1S/C16H14N6S/c1-11(2)12-5-7-14(8-6-12)22-16(19-20-21-22)23-15-13(10-17)4-3-9-18-15/h3-9,11H,1-2H3