4-(4-ethanoylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-ethanoylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-acetylphenyl)-5-[5-(2-thienyl)-1H-pyrazol-3-yl]-1,2,4-triazole-3-thiolate CAS Name: 4-(4-acetylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-acetylphenyl)-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-acetylphenyl)-5-[5-(2-thienyl)-1H-pyrazol-3-yl]-1,2,4-triazole-3-thiolate Formula: C17H12N5OS2- MolecularWeight: 366.44008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(=NN=C2[S-])C3=NNC(=C3)C4=CC=CS4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=NN=C2[S-])C3=NNC(=C3)C4=CC=CS4

InChI

InChI=1S/C17H13N5OS2/c1-10(23)11-4-6-12(7-5-11)22-16(20-21-17(22)24)14-9-13(18-19-14)15-3-2-8-25-15/h2-9H,1H3,(H,18,19)(H,21,24)/p-1