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

Systemtic Name: 5-methyl-2,7-diphenyl-[1,3,4]thiadiazolo[3,2-a]pyridin-4-ium-8-carbonitrile Openeye Name: 5-methyl-2,7-diphenyl-[1,3,4]thiadiazolo[3,2-a]pyridin-4-ium-8-carbonitrile CAS Name: 5-methyl-2,7-diphenyl-[1,3,4]thiadiazolo[3,2-a]pyridin-4-ium-8-carbonitrile IUPAC Name: 5-methyl-2,7-diphenyl-[1,3,4]thiadiazolo[3,2-a]pyridin-4-ium-8-carbonitrile Traditional Name: 5-methyl-2,7-diphenyl-[1,3,4]thiadiazolo[3,2-a]pyridin-4-ium-8-carbonitrile Formula: C20H14N3S+ MolecularWeight: 328.41026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=C(C(=C1)C3=CC=CC=C3)C#N)SC(=N2)C4=CC=CC=C4

Isomeric SMILES

CC1=[N+]2C(=C(C(=C1)C3=CC=CC=C3)C#N)SC(=N2)C4=CC=CC=C4

InChI

InChI=1S/C20H14N3S/c1-14-12-17(15-8-4-2-5-9-15)18(13-21)20-23(14)22-19(24-20)16-10-6-3-7-11-16/h2-12H,1H3/q+1