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

Systemtic Name: 3-ethyl-4-[(E)-(4-methoxy-3-nitro-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-ethyl-4-[(E)-(4-methoxy-3-nitro-phenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-ethyl-4-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-ethyl-4-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-ethyl-4-[(E)-(4-methoxy-3-nitro-benzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C12H13N5O3S MolecularWeight: 307.32832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=NNC(=S)N1/N=C/C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O3S/c1-3-11-14-15-12(21)16(11)13-7-8-4-5-10(20-2)9(6-8)17(18)19/h4-7H,3H2,1-2H3,(H,15,21)/b13-7+