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

Systemtic Name: ethyl 5-[2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]butanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]butanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C25H27N7O3S MolecularWeight: 505.59198

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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=C3SCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)N3C(=NN=C3SCC4=CC=CC=C4)N

InChI

InChI=1S/C25H27N7O3S/c1-3-20(31-24(26)29-30-25(31)36-16-17-11-7-5-8-12-17)22(33)28-21-19(23(34)35-4-2)15-27-32(21)18-13-9-6-10-14-18/h5-15,20H,3-4,16H2,1-2H3,(H2,26,29)(H,28,33)