ethyl 1-phenyl-3-(phenylmethylsulfanyl)-5-[(triphenyl-$l^{5}-phosphanylidene)amino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-phenyl-3-(phenylmethylsulfanyl)-5-[(triphenyl-$l^{5}-phosphanylidene)amino]pyrazole-4-carboxylate Openeye Name: ethyl 3-benzylsulfanyl-1-phenyl-5-[(triphenyl-$l^{5}-phosphanylidene)amino]pyrazole-4-carboxylate CAS Name: 1-phenyl-3-(phenylmethylthio)-5-(triphenylphosphoranylideneamino)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-1-phenyl-5-[(triphenyl-$l^{5}-phosphanylidene)amino]pyrazole-4-carboxylate Traditional Name: 3-(benzylthio)-1-phenyl-5-(triphenylphosphoranylideneamino)pyrazole-4-carboxylic acid ethyl ester Formula: C37H32N3O2PS MolecularWeight: 613.707641

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SCC2=CC=CC=C2)C3=CC=CC=C3)N=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SCC2=CC=CC=C2)C3=CC=CC=C3)N=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C37H32N3O2PS/c1-2-42-37(41)34-35(40(30-20-10-4-11-21-30)38-36(34)44-28-29-18-8-3-9-19-29)39-43(31-22-12-5-13-23-31,32-24-14-6-15-25-32)33-26-16-7-17-27-33/h3-27H,2,28H2,1H3