4-(3,5-dimethylphenyl)-5-(5-propylthiophen-3-yl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(3,5-dimethylphenyl)-5-(5-propylthiophen-3-yl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(3,5-dimethylphenyl)-5-(5-propyl-3-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(3,5-dimethylphenyl)-5-(5-propyl-3-thiophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3,5-dimethylphenyl)-5-(5-propylthiophen-3-yl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(3,5-dimethylphenyl)-5-(5-propyl-3-thienyl)-1,2,4-triazole-3-thiolate Formula: C17H18N3S2- MolecularWeight: 328.47492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CS1)C2=NN=C(N2C3=CC(=CC(=C3)C)C)[S-]

Isomeric SMILES

CCCC1=CC(=CS1)C2=NN=C(N2C3=CC(=CC(=C3)C)C)[S-]

InChI

InChI=1S/C17H19N3S2/c1-4-5-15-9-13(10-22-15)16-18-19-17(21)20(16)14-7-11(2)6-12(3)8-14/h6-10H,4-5H2,1-3H3,(H,19,21)/p-1