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

Systemtic Name: 3,7-dimethyl-5-phenyl-[1,2,3]thiadiazolo[3,4-a]pyrimidin-8-ium Openeye Name: 3,7-dimethyl-5-phenyl-thiadiazolo[3,4-a]pyrimidin-8-ium CAS Name: 3,7-dimethyl-5-phenylthiadiazolo[3,4-a]pyrimidin-8-ium IUPAC Name: 3,7-dimethyl-5-phenylthiadiazolo[3,4-a]pyrimidin-8-ium Traditional Name: 3,7-dimethyl-5-phenyl-thiadiazolo[3,4-a]pyrimidin-8-ium Formula: C13H12N3S+ MolecularWeight: 242.31948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(SN=[N+]12)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC2=C(SN=[N+]12)C)C3=CC=CC=C3

InChI

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