ethyl 2-[5-(hydroxymethyl)-1-(1,2,4-triazol-4-yl)imidazol-2-yl]sulfanylpentanoate

Systemtic Name: ethyl 2-[5-(hydroxymethyl)-1-(1,2,4-triazol-4-yl)imidazol-2-yl]sulfanylpentanoate Openeye Name: ethyl 2-[5-(hydroxymethyl)-1-(1,2,4-triazol-4-yl)imidazol-2-yl]sulfanylpentanoate CAS Name: 2-[[5-(hydroxymethyl)-1-(1,2,4-triazol-4-yl)-2-imidazolyl]thio]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[5-(hydroxymethyl)-1-(1,2,4-triazol-4-yl)imidazol-2-yl]sulfanylpentanoate Traditional Name: 2-[[5-methylol-1-(1,2,4-triazol-4-yl)imidazol-2-yl]thio]valeric acid ethyl ester Formula: C13H19N5O3S MolecularWeight: 325.38666

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)SC1=NC=C(N1N2C=NN=C2)CO

Isomeric SMILES

CCCC(C(=O)OCC)SC1=NC=C(N1N2C=NN=C2)CO

InChI

InChI=1S/C13H19N5O3S/c1-3-5-11(12(20)21-4-2)22-13-14-6-10(7-19)18(13)17-8-15-16-9-17/h6,8-9,11,19H,3-5,7H2,1-2H3