propan-2-yl 2-[[4-(4-chlorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[[4-(4-chlorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-(4-chlorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-chlorophenyl)-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-(4-chlorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-chlorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C17H16ClN5O2S MolecularWeight: 389.85924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=NC=CN=C3

Isomeric SMILES

CC(C)OC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=NC=CN=C3

InChI

InChI=1S/C17H16ClN5O2S/c1-11(2)25-15(24)10-26-17-22-21-16(14-9-19-7-8-20-14)23(17)13-5-3-12(18)4-6-13/h3-9,11H,10H2,1-2H3