2-tert-butyl-4-methyl-5-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-tert-butyl-4-methyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-tert-butyl-4-methyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-tert-butyl-4-methyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-tert-butyl-4-methyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-tert-butyl-4-methyl-5-phenyl-1,2,4-triazole-3-thione Formula: C13H17N3S MolecularWeight: 247.35918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=S)N(C(=N1)C2=CC=CC=C2)C

Isomeric SMILES

CC(C)(C)N1C(=S)N(C(=N1)C2=CC=CC=C2)C

InChI

InChI=1S/C13H17N3S/c1-13(2,3)16-12(17)15(4)11(14-16)10-8-6-5-7-9-10/h5-9H,1-4H3