methyl N'-ethyl-N-[(E)-(4-nitrophenyl)methylideneamino]carbamimidothioate

Systemtic Name: methyl N'-ethyl-N-[(E)-(4-nitrophenyl)methylideneamino]carbamimidothioate Openeye Name: 3-ethyl-2-methyl-1-[(E)-(4-nitrophenyl)methyleneamino]isothiourea CAS Name: N'-ethyl-N-[(E)-(4-nitrophenyl)methylideneamino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-ethyl-N-[(E)-(4-nitrophenyl)methylideneamino]carbamimidothioate Traditional Name: 3-ethyl-2-methyl-1-[(E)-(4-nitrobenzylidene)amino]isothiourea Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(NN=CC1=CC=C(C=C1)[N+](=O)[O-])SC

Isomeric SMILES

CCN=C(N/N=C/C1=CC=C(C=C1)[N+](=O)[O-])SC

InChI

InChI=1S/C11H14N4O2S/c1-3-12-11(18-2)14-13-8-9-4-6-10(7-5-9)15(16)17/h4-8H,3H2,1-2H3,(H,12,14)/b13-8+