4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-pyrazinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione Formula: C14H11N5O2S MolecularWeight: 313.33444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)C4=NC=CN=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)C4=NC=CN=C4

InChI

InChI=1S/C14H11N5O2S/c22-14-18-17-13(10-8-15-3-4-16-10)19(14)9-1-2-11-12(7-9)21-6-5-20-11/h1-4,7-8H,5-6H2,(H,18,22)