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

Systemtic Name: ethyl 5-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]butanoylamino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C14H21N7O3S MolecularWeight: 367.42664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)N2C(=NN=C2SC)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)N2C(=NN=C2SC)N

InChI

InChI=1S/C14H21N7O3S/c1-5-9(21-13(15)18-19-14(21)25-4)11(22)17-10-8(7-16-20(10)3)12(23)24-6-2/h7,9H,5-6H2,1-4H3,(H2,15,18)(H,17,22)