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

Systemtic Name: N-[(E)-1-(3,5-dimethyl-1,2-thiazol-4-yl)propylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-1-(3,5-dimethylisothiazol-4-yl)propylideneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-1-(3,5-dimethyl-4-isothiazolyl)propylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-1-(3,5-dimethyl-1,2-thiazol-4-yl)propylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-1-(3,5-dimethylisothiazol-4-yl)propylideneamino]-(2,4-dinitrophenyl)amine Formula: C14H15N5O4S MolecularWeight: 349.365

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=C(SN=C2C)C

Isomeric SMILES

CC/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C2=C(SN=C2C)C

InChI

InChI=1S/C14H15N5O4S/c1-4-11(14-8(2)17-24-9(14)3)15-16-12-6-5-10(18(20)21)7-13(12)19(22)23/h5-7,16H,4H2,1-3H3/b15-11+