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

Systemtic Name: ethyl (2S)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl (2S)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: (2S)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-acetic acid ethyl ester Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S/c1-3-14-24-18(16-10-12-21-13-11-16)22-23-20(24)27-17(19(25)26-4-2)15-8-6-5-7-9-15/h3,5-13,17H,1,4,14H2,2H3/t17-/m0/s1