3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-phenyl-1H-imidazole-2-thione

Systemtic Name: 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-phenyl-1H-imidazole-2-thione Openeye Name: 3-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-5-phenyl-1H-imidazole-2-thione CAS Name: 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-phenyl-1H-imidazole-2-thione IUPAC Name: 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-phenyl-1H-imidazole-2-thione Traditional Name: 4-phenyl-1-[(E)-piperonylideneamino]-4-imidazoline-2-thione Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NN3C=C(NC3=S)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/N3C=C(NC3=S)C4=CC=CC=C4

InChI

InChI=1S/C17H13N3O2S/c23-17-19-14(13-4-2-1-3-5-13)10-20(17)18-9-12-6-7-15-16(8-12)22-11-21-15/h1-10H,11H2,(H,19,23)/b18-9+