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

Systemtic Name: ethyl (2R)-2-[[5-cyclopropyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoate Openeye Name: ethyl (2R)-2-[[5-cyclopropyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoate CAS Name: (2R)-2-[[5-cyclopropyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]pentanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-cyclopropyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoate Traditional Name: (2R)-2-[[5-cyclopropyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]valeric acid ethyl ester Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)SC1=NN=C(N1C2=CC=C(C=C2)C)C3CC3

Isomeric SMILES

CCC[C@H](C(=O)OCC)SC1=NN=C(N1C2=CC=C(C=C2)C)C3CC3

InChI

InChI=1S/C19H25N3O2S/c1-4-6-16(18(23)24-5-2)25-19-21-20-17(14-9-10-14)22(19)15-11-7-13(3)8-12-15/h7-8,11-12,14,16H,4-6,9-10H2,1-3H3/t16-/m1/s1