3-methyl-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-methyl-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-isobutyl-3-methyl-1H-1,2,4-triazole-5-thione CAS Name: 3-methyl-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-methyl-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-isobutyl-3-methyl-1H-1,2,4-triazole-5-thione Formula: C7H13N3S MolecularWeight: 171.26322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1CC(C)C

Isomeric SMILES

CC1=NNC(=S)N1CC(C)C

InChI

InChI=1S/C7H13N3S/c1-5(2)4-10-6(3)8-9-7(10)11/h5H,4H2,1-3H3,(H,9,11)