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

Systemtic Name: ethyl 5-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]butanoylamino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C15H23N7O3S MolecularWeight: 381.45322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)N2C(=NN=C2SCC)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)N2C(=NN=C2SCC)N

InChI

InChI=1S/C15H23N7O3S/c1-5-10(22-14(16)19-20-15(22)26-7-3)12(23)18-11-9(8-17-21(11)4)13(24)25-6-2/h8,10H,5-7H2,1-4H3,(H2,16,19)(H,18,23)