ethyl 1-phenyl-3-(phenylmethylsulfanyl)-5-[(N-phenyl-N'-propyl-carbamimidoyl)amino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-phenyl-3-(phenylmethylsulfanyl)-5-[(N-phenyl-N'-propyl-carbamimidoyl)amino]pyrazole-4-carboxylate Openeye Name: ethyl 3-benzylsulfanyl-1-phenyl-5-[(N-phenyl-N'-propyl-carbamimidoyl)amino]pyrazole-4-carboxylate CAS Name: 5-[[anilino(propylimino)methyl]amino]-1-phenyl-3-(phenylmethylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-1-phenyl-5-[(N-phenyl-N'-propylcarbamimidoyl)amino]pyrazole-4-carboxylate Traditional Name: 3-(benzylthio)-1-phenyl-5-[(N-phenyl-N'-propyl-amidino)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C29H31N5O2S MolecularWeight: 513.65374

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(NC1=CC=CC=C1)NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCN=C(NC1=CC=CC=C1)NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C29H31N5O2S/c1-3-20-30-29(31-23-16-10-6-11-17-23)32-26-25(28(35)36-4-2)27(37-21-22-14-8-5-9-15-22)33-34(26)24-18-12-7-13-19-24/h5-19H,3-4,20-21H2,1-2H3,(H2,30,31,32)