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

Systemtic Name: N-[(E)-1-(3,5-dimethyl-1,2-thiazol-4-yl)but-3-enylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-1-(3,5-dimethylisothiazol-4-yl)but-3-enylideneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-1-(3,5-dimethyl-4-isothiazolyl)but-3-enylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-1-(3,5-dimethyl-1,2-thiazol-4-yl)but-3-enylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-1-(3,5-dimethylisothiazol-4-yl)but-3-enylideneamino]-(2,4-dinitrophenyl)amine Formula: C15H15N5O4S MolecularWeight: 361.3757

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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-])CC=C

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O4S/c1-4-5-13(15-9(2)18-25-10(15)3)17-16-12-7-6-11(19(21)22)8-14(12)20(23)24/h4,6-8,16H,1,5H2,2-3H3/b17-13+