4-(1,3-benzodioxol-5-yl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-[5-(2-furyl)-1H-pyrazol-3-yl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-yl)-3-[5-(2-furanyl)-1H-pyrazol-3-yl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-[5-(2-furyl)-1H-pyrazol-3-yl]-1H-1,2,4-triazole-5-thione Formula: C16H11N5O3S MolecularWeight: 353.35524

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)C4=NNC(=C4)C5=CC=CO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)C4=NNC(=C4)C5=CC=CO5

InChI

InChI=1S/C16H11N5O3S/c25-16-20-19-15(11-7-10(17-18-11)12-2-1-5-22-12)21(16)9-3-4-13-14(6-9)24-8-23-13/h1-7H,8H2,(H,17,18)(H,20,25)