N-[(E)-(3,5-dimethyl-1,2-thiazol-4-yl)methylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-(3,5-dimethyl-1,2-thiazol-4-yl)methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(3,5-dimethylisothiazol-4-yl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-(3,5-dimethyl-4-isothiazolyl)methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(3,5-dimethyl-1,2-thiazol-4-yl)methylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-(3,5-dimethylisothiazol-4-yl)methyleneamino]-(2,4-dinitrophenyl)amine Formula: C12H11N5O4S MolecularWeight: 321.31184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NS1)C)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NS1)C)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O4S/c1-7-10(8(2)22-15-7)6-13-14-11-4-3-9(16(18)19)5-12(11)17(20)21/h3-6,14H,1-2H3/b13-6+