4-pentan-3-yl-5-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-pentan-3-yl-5-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 4-(1-ethylpropyl)-5-phenyl-1,2,4-triazole-3-thiolate CAS Name: 4-pentan-3-yl-5-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-pentan-3-yl-5-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 4-(1-ethylpropyl)-5-phenyl-1,2,4-triazole-3-thiolate Formula: C13H16N3S- MolecularWeight: 246.35124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3S/c1-3-11(4-2)16-12(14-15-13(16)17)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,15,17)/p-1