2-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate

Systemtic Name: 2-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate Openeye Name: 2-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate CAS Name: 2-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate IUPAC Name: 2-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate Traditional Name: 2-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate Formula: C12H10ClN3O4S MolecularWeight: 327.7435

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+]2=C(C=CN=C2S1)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=N[N+]2=C(C=CN=C2S1)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H10N3S.ClHO4/c1-9-14-15-11(7-8-13-12(15)16-9)10-5-3-2-4-6-10;2-1(3,4)5/h2-8H,1H3;(H,2,3,4,5)/q+1;/p-1