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

Systemtic Name: N-[(E)-1-(3,5-dimethyl-1,2-thiazol-4-yl)ethylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-1-(3,5-dimethylisothiazol-4-yl)ethylideneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-1-(3,5-dimethyl-4-isothiazolyl)ethylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-1-(3,5-dimethyl-1,2-thiazol-4-yl)ethylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-1-(3,5-dimethylisothiazol-4-yl)ethylideneamino]-(2,4-dinitrophenyl)amine Formula: C13H13N5O4S MolecularWeight: 335.33842

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O4S/c1-7(13-8(2)16-23-9(13)3)14-15-11-5-4-10(17(19)20)6-12(11)18(21)22/h4-6,15H,1-3H3/b14-7+