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

Systemtic Name: 6-chloranyl-5,7-dimethyl-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium Openeye Name: 6-chloro-5,7-dimethyl-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium CAS Name: 6-chloro-5,7-dimethyl-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium IUPAC Name: 6-chloro-5,7-dimethyl-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium Traditional Name: 6-chloro-5,7-dimethyl-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium Formula: C13H11ClN3S+ MolecularWeight: 276.76454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN3S/c1-8-11(14)9(2)17-13(15-8)18-12(16-17)10-6-4-3-5-7-10/h3-7H,1-2H3/q+1