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

Systemtic Name: 4,5,6-trimethyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[(1-phenyl-5-tetrazolyl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 4,5,6-trimethyl-2-[(1-phenyltetrazol-5-yl)methylthio]nicotinonitrile Formula: C17H16N6S MolecularWeight: 336.41414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6S/c1-11-12(2)15(9-18)17(19-13(11)3)24-10-16-20-21-22-23(16)14-7-5-4-6-8-14/h4-8H,10H2,1-3H3