5-(5-chloranyl-2-methoxy-phenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-4-(p-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(5-chloro-2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-4-(p-tolyl)-1,2,4-triazole-3-thiolate Formula: C16H13ClN3OS- MolecularWeight: 330.81192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3OS/c1-10-3-6-12(7-4-10)20-15(18-19-16(20)22)13-9-11(17)5-8-14(13)21-2/h3-9H,1-2H3,(H,19,22)/p-1