4-(1,3-benzodioxol-5-ylmethylamino)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(piperonylamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C15H13N5O2S MolecularWeight: 327.36102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNN3C(=NNC3=S)C4=CC=NC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNN3C(=NNC3=S)C4=CC=NC=C4

InChI

InChI=1S/C15H13N5O2S/c23-15-19-18-14(11-3-5-16-6-4-11)20(15)17-8-10-1-2-12-13(7-10)22-9-21-12/h1-7,17H,8-9H2,(H,19,23)