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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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