3-(4-chlorophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-chlorophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-chlorophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-chlorophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione Formula: C11H10ClN3S MolecularWeight: 251.7352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)C2=CC=C(C=C2)Cl

Isomeric SMILES

C=CCN1C(=NNC1=S)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H10ClN3S/c1-2-7-15-10(13-14-11(15)16)8-3-5-9(12)6-4-8/h2-6H,1,7H2,(H,14,16)