3-methyl-4-[(Z)-C-methyl-N-[(3-nitrophenyl)amino]carbonimidoyl]-1,2-thiazol-5-amine

Systemtic Name: 3-methyl-4-[(Z)-C-methyl-N-[(3-nitrophenyl)amino]carbonimidoyl]-1,2-thiazol-5-amine Openeye Name: 3-methyl-4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]isothiazol-5-amine CAS Name: 3-methyl-4-[(1Z)-1-[(3-nitrophenyl)hydrazinylidene]ethyl]-5-isothiazolamine IUPAC Name: 3-methyl-4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]-1,2-thiazol-5-amine Traditional Name: [(Z)-1-(5-amino-3-methyl-isothiazol-4-yl)ethylideneamino]-(3-nitrophenyl)amine Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=NNC2=CC(=CC=C2)[N+](=O)[O-])C)N

Isomeric SMILES

CC1=NSC(=C1/C(=N\NC2=CC(=CC=C2)[N+](=O)[O-])/C)N

InChI

InChI=1S/C12H13N5O2S/c1-7(11-8(2)16-20-12(11)13)14-15-9-4-3-5-10(6-9)17(18)19/h3-6,15H,13H2,1-2H3/b14-7-