N-[[10-(2-chloranyl-5-nitro-phenyl)sulfanylanthracen-9-yl]methyl]-4-methoxy-aniline

Systemtic Name: N-[[10-(2-chloranyl-5-nitro-phenyl)sulfanylanthracen-9-yl]methyl]-4-methoxy-aniline Openeye Name: N-[[10-(2-chloro-5-nitro-phenyl)sulfanyl-9-anthryl]methyl]-4-methoxy-aniline CAS Name: N-[[10-[(2-chloro-5-nitrophenyl)thio]-9-anthracenyl]methyl]-4-methoxyaniline IUPAC Name: N-[[10-(2-chloro-5-nitrophenyl)sulfanylanthracen-9-yl]methyl]-4-methoxyaniline Traditional Name: [10-[(2-chloro-5-nitro-phenyl)thio]-9-anthryl]methyl-(4-methoxyphenyl)amine Formula: C28H21ClN2O3S MolecularWeight: 500.99594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NCC2=C3C=CC=CC3=C(C4=CC=CC=C42)SC5=C(C=CC(=C5)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)NCC2=C3C=CC=CC3=C(C4=CC=CC=C42)SC5=C(C=CC(=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C28H21ClN2O3S/c1-34-20-13-10-18(11-14-20)30-17-25-21-6-2-4-8-23(21)28(24-9-5-3-7-22(24)25)35-27-16-19(31(32)33)12-15-26(27)29/h2-16,30H,17H2,1H3