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

Systemtic Name: N-[(E)-1-(3,5-dimethyl-1,2-thiazol-4-yl)pentylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-1-(3,5-dimethylisothiazol-4-yl)pentylideneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-1-(3,5-dimethyl-4-isothiazolyl)pentylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-1-(3,5-dimethyl-1,2-thiazol-4-yl)pentylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-1-(3,5-dimethylisothiazol-4-yl)pentylideneamino]-(2,4-dinitrophenyl)amine Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O4S/c1-4-5-6-14(16-10(2)19-26-11(16)3)18-17-13-8-7-12(20(22)23)9-15(13)21(24)25/h7-9,17H,4-6H2,1-3H3/b18-14+