ethyl (2S)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetate Traditional Name: (2S)-2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-acetic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H23N3O3S/c1-4-15-25-20(17-11-13-18(27-3)14-12-17)23-24-22(25)29-19(21(26)28-5-2)16-9-7-6-8-10-16/h4,6-14,19H,1,5,15H2,2-3H3/t19-/m0/s1