3-(4-chlorophenyl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-chlorophenyl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-chlorophenyl)-4-isopropyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-chlorophenyl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-chlorophenyl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-chlorophenyl)-4-isopropyl-1H-1,2,4-triazole-5-thione Formula: C11H12ClN3S MolecularWeight: 253.75108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NNC1=S)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)N1C(=NNC1=S)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H12ClN3S/c1-7(2)15-10(13-14-11(15)16)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,14,16)