ethyl 5-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]butanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C26H29N7O3S MolecularWeight: 519.61856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)N3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C26H29N7O3S/c1-3-21(32-25(27)30-31-26(32)37-16-15-18-11-7-5-8-12-18)23(34)29-22-20(24(35)36-4-2)17-28-33(22)19-13-9-6-10-14-19/h5-14,17,21H,3-4,15-16H2,1-2H3,(H2,27,30)(H,29,34)