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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-phenyl-4-piperonyl-1H-1,2,4-triazole-5-thione Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)C4=CC=CC=C4

InChI

InChI=1S/C16H13N3O2S/c22-16-18-17-15(12-4-2-1-3-5-12)19(16)9-11-6-7-13-14(8-11)21-10-20-13/h1-8H,9-10H2,(H,18,22)