N-[(E)-2-butylsulfanylprop-2-enylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-2-butylsulfanylprop-2-enylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-2-butylsulfanylprop-2-enylideneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-2-(butylthio)prop-2-enylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-2-butylsulfanylprop-2-enylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-2-(butylthio)prop-2-enylideneamino]-(2,4-dinitrophenyl)amine Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=C)C=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCSC(=C)/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O4S/c1-3-4-7-22-10(2)9-14-15-12-6-5-11(16(18)19)8-13(12)17(20)21/h5-6,8-9,15H,2-4,7H2,1H3/b14-9+