methyl N-ethyl-2-[(4-methyl-2,6-dinitro-phenyl)amino]propanimidothioate

Systemtic Name: methyl N-ethyl-2-[(4-methyl-2,6-dinitro-phenyl)amino]propanimidothioate Openeye Name: methyl N-ethyl-2-(4-methyl-2,6-dinitro-anilino)propanimidothioate CAS Name: N-ethyl-2-(4-methyl-2,6-dinitroanilino)propanimidothioic acid methyl ester IUPAC Name: methyl N-ethyl-2-(4-methyl-2,6-dinitroanilino)propanimidothioate Traditional Name: N-ethyl-2-(4-methyl-2,6-dinitro-anilino)thiopropionimidic acid methyl ester Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(C(C)NC1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-])SC

Isomeric SMILES

CCN=C(C(C)NC1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-])SC

InChI

InChI=1S/C13H18N4O4S/c1-5-14-13(22-4)9(3)15-12-10(16(18)19)6-8(2)7-11(12)17(20)21/h6-7,9,15H,5H2,1-4H3