N-[(E)-[3-[2-(4-methylphenyl)sulfanylethoxy]phenyl]methylideneamino]-4-nitro-aniline

Systemtic Name: N-[(E)-[3-[2-(4-methylphenyl)sulfanylethoxy]phenyl]methylideneamino]-4-nitro-aniline Openeye Name: 4-nitro-N-[(E)-[3-[2-(p-tolylsulfanyl)ethoxy]phenyl]methyleneamino]aniline CAS Name: N-[(E)-[3-[2-[(4-methylphenyl)thio]ethoxy]phenyl]methylideneamino]-4-nitroaniline IUPAC Name: N-[(E)-[3-[2-(4-methylphenyl)sulfanylethoxy]phenyl]methylideneamino]-4-nitroaniline Traditional Name: (4-nitrophenyl)-[(E)-[3-[2-(p-tolylthio)ethoxy]benzylidene]amino]amine Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCOC2=CC=CC(=C2)C=NNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCOC2=CC=CC(=C2)/C=N/NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O3S/c1-17-5-11-22(12-6-17)29-14-13-28-21-4-2-3-18(15-21)16-23-24-19-7-9-20(10-8-19)25(26)27/h2-12,15-16,24H,13-14H2,1H3/b23-16+