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

Systemtic Name: ethyl (2R)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]pentanoate Openeye Name: ethyl (2R)-2-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoate CAS Name: (2R)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]pentanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]pentanoate Traditional Name: (2R)-2-[[4-allyl-5-(m-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(N1CC=C)C2=CC(=CC=C2)C

Isomeric SMILES

CCC[C@H](C(=O)OCC)SC1=NN=C(N1CC=C)C2=CC(=CC=C2)C

InChI

InChI=1S/C19H25N3O2S/c1-5-9-16(18(23)24-7-3)25-19-21-20-17(22(19)12-6-2)15-11-8-10-14(4)13-15/h6,8,10-11,13,16H,2,5,7,9,12H2,1,3-4H3/t16-/m1/s1