2,4-dinitro-N-[(E)-[2-(phenylmethylsulfanyl)cyclohexylidene]amino]aniline

Systemtic Name: 2,4-dinitro-N-[(E)-[2-(phenylmethylsulfanyl)cyclohexylidene]amino]aniline Openeye Name: N-[(E)-(2-benzylsulfanylcyclohexylidene)amino]-2,4-dinitro-aniline CAS Name: 2,4-dinitro-N-[(E)-[2-(phenylmethylthio)cyclohexylidene]amino]aniline IUPAC Name: N-[(E)-(2-benzylsulfanylcyclohexylidene)amino]-2,4-dinitroaniline Traditional Name: [(E)-[2-(benzylthio)cyclohexylidene]amino]-(2,4-dinitrophenyl)amine Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(C1)SCC3=CC=CC=C3

Isomeric SMILES

C1CC/C(=N\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C(C1)SCC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O4S/c24-22(25)15-10-11-16(18(12-15)23(26)27)20-21-17-8-4-5-9-19(17)28-13-14-6-2-1-3-7-14/h1-3,6-7,10-12,19-20H,4-5,8-9,13H2/b21-17+