3-(4-tert-butylphenyl)-4-(3-chloranyl-4-methoxy-phenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-tert-butylphenyl)-4-(3-chloranyl-4-methoxy-phenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxy-phenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-tert-butylphenyl)-4-(3-chloro-4-methoxy-phenyl)-1H-1,2,4-triazole-5-thione Formula: C19H20ClN3OS MolecularWeight: 373.8996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C19H20ClN3OS/c1-19(2,3)13-7-5-12(6-8-13)17-21-22-18(25)23(17)14-9-10-16(24-4)15(20)11-14/h5-11H,1-4H3,(H,22,25)