phenacyl 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: phenacyl 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: phenacyl 2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetic acid phenacyl ester IUPAC Name: phenacyl 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid phenacyl ester Formula: C23H18N4O3S MolecularWeight: 430.47902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H18N4O3S/c28-20(17-7-3-1-4-8-17)15-30-21(29)16-31-23-26-25-22(18-11-13-24-14-12-18)27(23)19-9-5-2-6-10-19/h1-14H,15-16H2