3-ethyl-4-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-ethyl-4-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-ethyl-4-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-ethyl-4-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-ethyl-4-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-ethyl-4-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-1H-1,2,4-triazole-5-thione Formula: C12H11N5O4S MolecularWeight: 321.31184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCC1=NNC(=S)N1/N=C\C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C12H11N5O4S/c1-2-11-14-15-12(22)16(11)13-5-7-3-9-10(21-6-20-9)4-8(7)17(18)19/h3-5H,2,6H2,1H3,(H,15,22)/b13-5-