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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=NN=NN2C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=NN=NN2C3=CC=CC=C3)C

InChI

InChI=1S/C16H14N6S/c1-11-8-12(2)18-16(14(11)9-17)23-10-15-19-20-21-22(15)13-6-4-3-5-7-13/h3-8H,10H2,1-2H3