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

Systemtic Name: ethyl 5-[2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]butanoylamino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]butanoylamino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H25N7O3S MolecularWeight: 443.5226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)N2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)N2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C20H25N7O3S/c1-4-15(17(28)23-16-14(11-22-26(16)3)18(29)30-5-2)27-19(21)24-25-20(27)31-12-13-9-7-6-8-10-13/h6-11,15H,4-5,12H2,1-3H3,(H2,21,24)(H,23,28)