4-(4-methylsulfanylphenyl)-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-methylsulfanylphenyl)-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-methylsulfanylphenyl)-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[4-(methylthio)phenyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-methylsulfanylphenyl)-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[4-(methylthio)phenyl]-5-propyl-1,2,4-triazole-3-thiolate Formula: C12H14N3S2- MolecularWeight: 264.38966

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC=C(C=C2)SC)[S-]

Isomeric SMILES

CCCC1=NN=C(N1C2=CC=C(C=C2)SC)[S-]

InChI

InChI=1S/C12H15N3S2/c1-3-4-11-13-14-12(16)15(11)9-5-7-10(17-2)8-6-9/h5-8H,3-4H2,1-2H3,(H,14,16)/p-1