ethyl 5-[[N'-(2-methylpropyl)-N-phenyl-carbamimidoyl]amino]-1-phenyl-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[N'-(2-methylpropyl)-N-phenyl-carbamimidoyl]amino]-1-phenyl-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate Openeye Name: ethyl 3-benzylsulfanyl-5-[(N'-isobutyl-N-phenyl-carbamimidoyl)amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[anilino(2-methylpropylimino)methyl]amino]-1-phenyl-3-(phenylmethylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-5-[[N'-(2-methylpropyl)-N-phenylcarbamimidoyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(benzylthio)-5-[(N'-isobutyl-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(=NCC(C)C)NC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C30H33N5O2S/c1-4-37-29(36)26-27(33-30(31-20-22(2)3)32-24-16-10-6-11-17-24)35(25-18-12-7-13-19-25)34-28(26)38-21-23-14-8-5-9-15-23/h5-19,22H,4,20-21H2,1-3H3,(H2,31,32,33)