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

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

CCOC(=O)C1=C(N(N=C1SCC2=CC=CC=C2)C3=CC=CC=C3)NC(=NC(C)(C)C)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SCC2=CC=CC=C2)C3=CC=CC=C3)NC(=NC(C)(C)C)NC4=CC=CC=C4

InChI

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