ethyl (2S)-2-[[5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: ethyl (2S)-2-[[5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl (2S)-2-[[5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2S)-2-[[5-(3-methoxy-1-methyl-4-pyrazolyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[5-(3-methoxy-1-methylpyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2S)-2-[[5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C13H19N5O3S MolecularWeight: 325.38666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NN=C(N1C)C2=CN(N=C2OC)C

Isomeric SMILES

CCOC(=O)[C@H](C)SC1=NN=C(N1C)C2=CN(N=C2OC)C

InChI

InChI=1S/C13H19N5O3S/c1-6-21-12(19)8(2)22-13-15-14-10(18(13)4)9-7-17(3)16-11(9)20-5/h7-8H,6H2,1-5H3/t8-/m0/s1