4-[(E)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one

Systemtic Name: 4-[(E)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one Openeye Name: 4-[(E)-(4-chloro-3-nitro-phenyl)methyleneamino]-6-methyl-3-thioxo-2H-1,2,4-triazin-5-one CAS Name: 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one IUPAC Name: 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one Traditional Name: 4-[(E)-(4-chloro-3-nitro-benzylidene)amino]-6-methyl-3-thioxo-2H-1,2,4-triazin-5-one Formula: C11H8ClN5O3S MolecularWeight: 325.73092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NNC(=S)N(C1=O)/N=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H8ClN5O3S/c1-6-10(18)16(11(21)15-14-6)13-5-7-2-3-8(12)9(4-7)17(19)20/h2-5H,1H3,(H,15,21)/b13-5+