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

Systemtic Name: 3-(1-benzofuran-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-(benzofuran-2-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-benzofuranyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-benzofuran-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-(benzofuran-2-yl)-1H-1,2,4-triazole-5-thione Formula: C13H11N3OS MolecularWeight: 257.31094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)C2=CC3=CC=CC=C3O2

Isomeric SMILES

C=CCN1C(=NNC1=S)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C13H11N3OS/c1-2-7-16-12(14-15-13(16)18)11-8-9-5-3-4-6-10(9)17-11/h2-6,8H,1,7H2,(H,15,18)