4-[(2S)-butan-2-yl]-5-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[(2S)-butan-2-yl]-5-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[(1S)-1-methylpropyl]-5-phenyl-1,2,4-triazole-3-thiolate CAS Name: 4-[(2S)-butan-2-yl]-5-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(2S)-butan-2-yl]-5-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[(1S)-1-methylpropyl]-5-phenyl-1,2,4-triazole-3-thiolate Formula: C12H14N3S- MolecularWeight: 232.32466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NN=C1[S-])C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)N1C(=NN=C1[S-])C2=CC=CC=C2

InChI

InChI=1S/C12H15N3S/c1-3-9(2)15-11(13-14-12(15)16)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,16)/p-1/t9-/m0/s1