2-ethyl-5-methyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate

Systemtic Name: 2-ethyl-5-methyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate Openeye Name: 2-ethyl-5-methyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate CAS Name: 2-ethyl-5-methyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate IUPAC Name: 2-ethyl-5-methyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate Traditional Name: 2-ethyl-5-methyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate Formula: C14H14ClN3O4S MolecularWeight: 355.79666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=N[N+]2=C(C=C(N=C2S1)C3=CC=CC=C3)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC1=N[N+]2=C(C=C(N=C2S1)C3=CC=CC=C3)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H14N3S.ClHO4/c1-3-13-16-17-10(2)9-12(15-14(17)18-13)11-7-5-4-6-8-11;2-1(3,4)5/h4-9H,3H2,1-2H3;(H,2,3,4,5)/q+1;/p-1