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

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[(10-phenylsulfanylanthracen-9-yl)amino]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[(10-phenylsulfanyl-9-anthryl)amino]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[[10-(phenylthio)-9-anthracenyl]amino]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[(10-phenylsulfanylanthracen-9-yl)amino]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[[10-(phenylthio)-9-anthryl]amino]-3-pyrazolin-3-one Formula: C31H25N3OS MolecularWeight: 487.6147

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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=CC=C6

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C4C=CC=CC4=C(C5=CC=CC=C53)SC6=CC=CC=C6

InChI

InChI=1S/C31H25N3OS/c1-21-28(31(35)34(33(21)2)22-13-5-3-6-14-22)32-29-24-17-9-11-19-26(24)30(27-20-12-10-18-25(27)29)36-23-15-7-4-8-16-23/h3-20,32H,1-2H3