4-[(Z)-(7-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one

Systemtic Name: 4-[(Z)-(7-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one Openeye Name: 4-[(Z)-(7-bromo-1,3-benzodioxol-5-yl)methyleneamino]-6-methyl-3-thioxo-2H-1,2,4-triazin-5-one CAS Name: 4-[(Z)-(7-bromo-1,3-benzodioxol-5-yl)methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one IUPAC Name: 4-[(Z)-(7-bromo-1,3-benzodioxol-5-yl)methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one Traditional Name: 4-[(Z)-(7-bromo-1,3-benzodioxol-5-yl)methyleneamino]-6-methyl-3-thioxo-2H-1,2,4-triazin-5-one Formula: C12H9BrN4O3S MolecularWeight: 369.19386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N(C1=O)N=CC2=CC3=C(C(=C2)Br)OCO3

Isomeric SMILES

CC1=NNC(=S)N(C1=O)/N=C\C2=CC3=C(C(=C2)Br)OCO3

InChI

InChI=1S/C12H9BrN4O3S/c1-6-11(18)17(12(21)16-15-6)14-4-7-2-8(13)10-9(3-7)19-5-20-10/h2-4H,5H2,1H3,(H,16,21)/b14-4-