6-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one

Systemtic Name: 6-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one Openeye Name: 6-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-thioxo-2H-1,2,4-triazin-5-one CAS Name: 6-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one IUPAC Name: 6-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one Traditional Name: 6-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-thioxo-2H-1,2,4-triazin-5-one Formula: C12H9N5O5S MolecularWeight: 335.29536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N(C1=O)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC1=NNC(=S)N(C1=O)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C12H9N5O5S/c1-6-11(18)16(12(23)15-14-6)13-4-7-2-9-10(22-5-21-9)3-8(7)17(19)20/h2-4H,5H2,1H3,(H,15,23)