4-[(2R)-butan-2-yl]-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[(2R)-butan-2-yl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[(1R)-1-methylpropyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[(2R)-butan-2-yl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(2R)-butan-2-yl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[(1R)-1-methylpropyl]-5-propyl-1,2,4-triazole-3-thiolate Formula: C9H16N3S- MolecularWeight: 198.30844

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C(C)CC)[S-]

Isomeric SMILES

CCCC1=NN=C(N1[C@H](C)CC)[S-]

InChI

InChI=1S/C9H17N3S/c1-4-6-8-10-11-9(13)12(8)7(3)5-2/h7H,4-6H2,1-3H3,(H,11,13)/p-1/t7-/m1/s1