4-[(E)-(4-methoxy-3-nitro-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(4-methoxy-3-nitro-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-methoxy-3-nitro-phenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-methoxy-3-nitro-benzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C10H9N5O3S MolecularWeight: 279.27516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NN2C=NNC2=S)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/N2C=NNC2=S)[N+](=O)[O-]

InChI

InChI=1S/C10H9N5O3S/c1-18-9-3-2-7(4-8(9)15(16)17)5-12-14-6-11-13-10(14)19/h2-6H,1H3,(H,13,19)/b12-5+