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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC(C)C2=NN=NN2C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC(C)C2=NN=NN2C3=CC=CC=C3)C

InChI

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