5,7-dimethyl-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyridin-4-ium-8-carbonitrile

Systemtic Name: 5,7-dimethyl-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyridin-4-ium-8-carbonitrile Openeye Name: 5,7-dimethyl-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyridin-4-ium-8-carbonitrile CAS Name: 5,7-dimethyl-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyridin-4-ium-8-carbonitrile IUPAC Name: 5,7-dimethyl-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyridin-4-ium-8-carbonitrile Traditional Name: 5,7-dimethyl-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyridin-4-ium-8-carbonitrile Formula: C15H12N3S+ MolecularWeight: 266.34088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C(=C1C#N)SC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=[N+]2C(=C1C#N)SC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C15H12N3S/c1-10-8-11(2)18-15(13(10)9-16)19-14(17-18)12-6-4-3-5-7-12/h3-8H,1-2H3/q+1