N-[(E)-(3-methyl-1-phenylsulfanyl-cyclohex-2-en-1-yl)methylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-(3-methyl-1-phenylsulfanyl-cyclohex-2-en-1-yl)methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(3-methyl-1-phenylsulfanyl-cyclohex-2-en-1-yl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-[3-methyl-1-(phenylthio)-1-cyclohex-2-enyl]methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(3-methyl-1-phenylsulfanylcyclohex-2-en-1-yl)methylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-[3-methyl-1-(phenylthio)cyclohex-2-en-1-yl]methyleneamino]amine Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(CCC1)(C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])SC3=CC=CC=C3

Isomeric SMILES

CC1=CC(CCC1)(/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])SC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O4S/c1-15-6-5-11-20(13-15,29-17-7-3-2-4-8-17)14-21-22-18-10-9-16(23(25)26)12-19(18)24(27)28/h2-4,7-10,12-14,22H,5-6,11H2,1H3/b21-14+