2-methylbutanoic acid; 5-methyl-1,3-dihydrobenzimidazole-2-thione

Systemtic Name: 2-methylbutanoic acid; 5-methyl-1,3-dihydrobenzimidazole-2-thione Openeye Name: 2-methylbutanoic acid; 5-methyl-1,3-dihydrobenzimidazole-2-thione CAS Name: 2-methylbutanoic acid; 5-methyl-1,3-dihydrobenzimidazole-2-thione IUPAC Name: 2-methylbutanoic acid; 5-methyl-1,3-dihydrobenzimidazole-2-thione Traditional Name: 2-methylbutyric acid; 5-methyl-1,3-dihydrobenzimidazole-2-thione Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)O.CC1=CC2=C(C=C1)NC(=S)N2

Isomeric SMILES

CCC(C)C(=O)O.CC1=CC2=C(C=C1)NC(=S)N2

InChI

InChI=1S/C8H8N2S.C5H10O2/c1-5-2-3-6-7(4-5)10-8(11)9-6;1-3-4(2)5(6)7/h2-4H,1H3,(H2,9,10,11);4H,3H2,1-2H3,(H,6,7)