4-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)C4=NC=CN=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)C4=NC=CN=C4

InChI

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