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

Systemtic Name: ethyl 5-[(N'-butyl-N-phenyl-carbamimidoyl)amino]-1-phenyl-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate Openeye Name: ethyl 3-benzylsulfanyl-5-[(N'-butyl-N-phenyl-carbamimidoyl)amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[anilino(butylimino)methyl]amino]-1-phenyl-3-(phenylmethylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-5-[(N'-butyl-N-phenylcarbamimidoyl)amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(benzylthio)-5-[(N'-butyl-N-phenyl-amidino)amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C30H33N5O2S MolecularWeight: 527.68032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33N5O2S/c1-3-5-21-31-30(32-24-17-11-7-12-18-24)33-27-26(29(36)37-4-2)28(38-22-23-15-9-6-10-16-23)34-35(27)25-19-13-8-14-20-25/h6-20H,3-5,21-22H2,1-2H3,(H2,31,32,33)