4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2,6-diethylphenyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiolate Formula: C17H17N4S- MolecularWeight: 309.40868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2[S-])C3=CN=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2[S-])C3=CN=CC=C3

InChI

InChI=1S/C17H18N4S/c1-3-12-7-5-8-13(4-2)15(12)21-16(19-20-17(21)22)14-9-6-10-18-11-14/h5-11H,3-4H2,1-2H3,(H,20,22)/p-1