3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[(3-chloro-4-hydroxy-phenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3-chloro-4-hydroxyphenyl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3-chloro-4-hydroxyphenyl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-(3-chloro-4-hydroxy-benzyl)-1H-1,2,4-triazole-5-thione Formula: C12H12ClN3OS MolecularWeight: 281.76118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)CC2=CC(=C(C=C2)O)Cl

Isomeric SMILES

C=CCN1C(=NNC1=S)CC2=CC(=C(C=C2)O)Cl

InChI

InChI=1S/C12H12ClN3OS/c1-2-5-16-11(14-15-12(16)18)7-8-3-4-10(17)9(13)6-8/h2-4,6,17H,1,5,7H2,(H,15,18)