ethyl (2R)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]pentanoate

Systemtic Name: ethyl (2R)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]pentanoate Openeye Name: ethyl (2R)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoate CAS Name: (2R)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]pentanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]pentanoate Traditional Name: (2R)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]valeric acid ethyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)SC1=NN=C(N1C2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CCC[C@H](C(=O)OCC)SC1=NN=C(N1C2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-3-9-17(19(25)26-4-2)27-20-23-22-18(15-10-8-13-21-14-15)24(20)16-11-6-5-7-12-16/h5-8,10-14,17H,3-4,9H2,1-2H3/t17-/m1/s1