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

Systemtic Name: 5-(3-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(3-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(3-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(3-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(3-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazole-3-thiolate Formula: C16H13ClN3S- MolecularWeight: 314.81252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=C2[S-])C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=C2[S-])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H14ClN3S/c1-10-6-7-11(2)14(8-10)20-15(18-19-16(20)21)12-4-3-5-13(17)9-12/h3-9H,1-2H3,(H,19,21)/p-1