4,5,6-trimethyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-(1-phenyltetrazol-5-yl)sulfanyl-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[(1-phenyl-5-tetrazolyl)thio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpyridine-3-carbonitrile Traditional Name: 4,5,6-trimethyl-2-[(1-phenyltetrazol-5-yl)thio]nicotinonitrile Formula: C16H14N6S MolecularWeight: 322.38756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SC2=NN=NN2C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SC2=NN=NN2C3=CC=CC=C3)C

InChI

InChI=1S/C16H14N6S/c1-10-11(2)14(9-17)15(18-12(10)3)23-16-19-20-21-22(16)13-7-5-4-6-8-13/h4-8H,1-3H3