4-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C16H11BrN4O2S MolecularWeight: 403.25314

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NN3C(=NNC3=S)C4=CC=CC=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/N3C(=NNC3=S)C4=CC=CC=C4)Br

InChI

InChI=1S/C16H11BrN4O2S/c17-12-7-14-13(22-9-23-14)6-11(12)8-18-21-15(19-20-16(21)24)10-4-2-1-3-5-10/h1-8H,9H2,(H,20,24)/b18-8+