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

Systemtic Name: ethyl 1-phenyl-3-(phenylmethylsulfanyl)-5-[(N-phenyl-N'-propan-2-yl-carbamimidoyl)amino]pyrazole-4-carboxylate Openeye Name: ethyl 3-benzylsulfanyl-5-[(N'-isopropyl-N-phenyl-carbamimidoyl)amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[anilino(propan-2-ylimino)methyl]amino]-1-phenyl-3-(phenylmethylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-1-phenyl-5-[(N-phenyl-N'-propan-2-ylcarbamimidoyl)amino]pyrazole-4-carboxylate Traditional Name: 3-(benzylthio)-5-[(N'-isopropyl-N-phenyl-amidino)amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C29H31N5O2S MolecularWeight: 513.65374

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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)NC4=CC=CC=C4

Isomeric SMILES

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

InChI

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