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

Systemtic Name: 5-methyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-amine Openeye Name: 5-methyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-amine CAS Name: 5-methyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-amine IUPAC Name: 5-methyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-amine Traditional Name: (5-methyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-yl)amine Formula: C12H11N4S+ MolecularWeight: 243.30754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=NC(=C1)C3=CC=CC=C3)SC(=N2)N

Isomeric SMILES

CC1=[N+]2C(=NC(=C1)C3=CC=CC=C3)SC(=N2)N

InChI

InChI=1S/C12H11N4S/c1-8-7-10(9-5-3-2-4-6-9)14-12-16(8)15-11(13)17-12/h2-7H,1H3,(H2,13,15)/q+1