5,7-dimethyl-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium

Systemtic Name: 5,7-dimethyl-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium Openeye Name: 5,7-dimethyl-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium CAS Name: 5,7-dimethyl-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium IUPAC Name: 5,7-dimethyl-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium Traditional Name: 5,7-dimethyl-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium Formula: C13H12N3S+ MolecularWeight: 242.31948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C(=N1)SC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=[N+]2C(=N1)SC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C13H12N3S/c1-9-8-10(2)16-13(14-9)17-12(15-16)11-6-4-3-5-7-11/h3-8H,1-2H3/q+1