N-[(E)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]-2,4-dinitro-aniline Openeye Name: 2,4-dinitro-N-[(E)-[5-(p-tolylsulfanyl)-2-furyl]methyleneamino]aniline CAS Name: N-[(E)-[5-[(4-methylphenyl)thio]-2-furanyl]methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-[5-(p-tolylthio)-2-furyl]methyleneamino]amine Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(O2)C=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(O2)/C=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O5S/c1-12-2-6-15(7-3-12)28-18-9-5-14(27-18)11-19-20-16-8-4-13(21(23)24)10-17(16)22(25)26/h2-11,20H,1H3/b19-11+