2-tert-butyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazol-3-ium

Systemtic Name: 2-tert-butyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazol-3-ium Openeye Name: 2-tert-butyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazol-3-ium CAS Name: 2-tert-butyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazol-3-ium IUPAC Name: 2-tert-butyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazol-3-ium Traditional Name: 2-tert-butyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazol-3-ium Formula: C13H19N2S+ MolecularWeight: 235.36836

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Descriptors Computed from Structure

Canonical SMILES:

CC1([NH2+]N=C(S1)C2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CC1([NH2+]N=C(S1)C2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C13H18N2S/c1-12(2,3)13(4)15-14-11(16-13)10-8-6-5-7-9-10/h5-9,15H,1-4H3/p+1