4-(3-methylsulfanylphenyl)-5-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(3-methylsulfanylphenyl)-5-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-methylsulfanylphenyl)-5-phenyl-1,2,4-triazole-3-thiolate CAS Name: 4-[3-(methylthio)phenyl]-5-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-methylsulfanylphenyl)-5-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[3-(methylthio)phenyl]-5-phenyl-1,2,4-triazole-3-thiolate Formula: C15H12N3S2- MolecularWeight: 298.40588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2C(=NN=C2[S-])C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)N2C(=NN=C2[S-])C3=CC=CC=C3

InChI

InChI=1S/C15H13N3S2/c1-20-13-9-5-8-12(10-13)18-14(16-17-15(18)19)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,19)/p-1