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

Systemtic Name: 5-ethanoyl-6-methyl-2-[1-(1-phenyl-1,2,3,4-tetrazol-5-yl)ethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[1-(1-phenyl-5-tetrazolyl)ethylthio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]pyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-[1-(1-phenyltetrazol-5-yl)ethylthio]nicotinonitrile Formula: C18H16N6OS MolecularWeight: 364.42424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC(C)C2=NN=NN2C3=CC=CC=C3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SC(C)C2=NN=NN2C3=CC=CC=C3)C#N)C(=O)C

InChI

InChI=1S/C18H16N6OS/c1-11-16(12(2)25)9-14(10-19)18(20-11)26-13(3)17-21-22-23-24(17)15-7-5-4-6-8-15/h4-9,13H,1-3H3