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

Systemtic Name: 4-(4-cyanophenyl)-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-cyanophenyl)-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-(4-cyanophenyl)-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-cyanophenyl)-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-cyanophenyl)-5-propyl-1,2,4-triazole-3-thiolate Formula: C12H11N4S- MolecularWeight: 243.30754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4S/c1-2-3-11-14-15-12(17)16(11)10-6-4-9(8-13)5-7-10/h4-7H,2-3H2,1H3,(H,15,17)/p-1