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

Systemtic Name: phenacyl 2-[[5-(3-chloranyl-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: phenacyl 2-[[5-(3-chlorobenzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid phenacyl ester IUPAC Name: phenacyl 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-chlorobenzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid phenacyl ester Formula: C26H18ClN3O3S2 MolecularWeight: 520.02242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C26H18ClN3O3S2/c27-23-19-13-7-8-14-21(19)35-24(23)25-28-29-26(30(25)18-11-5-2-6-12-18)34-16-22(32)33-15-20(31)17-9-3-1-4-10-17/h1-14H,15-16H2