4-[[10-(4-chloranyl-3-nitro-phenyl)sulfanylanthracen-9-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[10-(4-chloranyl-3-nitro-phenyl)sulfanylanthracen-9-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[10-(4-chloro-3-nitro-phenyl)sulfanyl-9-anthryl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[10-[(4-chloro-3-nitrophenyl)thio]-9-anthracenyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[10-(4-chloro-3-nitrophenyl)sulfanylanthracen-9-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[10-[(4-chloro-3-nitro-phenyl)thio]-9-anthryl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C31H23ClN4O3S MolecularWeight: 567.05732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C4C=CC=CC4=C(C5=CC=CC=C53)SC6=CC(=C(C=C6)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C4C=CC=CC4=C(C5=CC=CC=C53)SC6=CC(=C(C=C6)Cl)[N+](=O)[O-]

InChI

InChI=1S/C31H23ClN4O3S/c1-19-28(31(37)35(34(19)2)20-10-4-3-5-11-20)33-29-22-12-6-8-14-24(22)30(25-15-9-7-13-23(25)29)40-21-16-17-26(32)27(18-21)36(38)39/h3-18,33H,1-2H3