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

Systemtic Name: phenacyl 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: phenacyl 2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid phenacyl ester IUPAC Name: phenacyl 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid phenacyl ester Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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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=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H17N3O3S2/c26-18(16-8-3-1-4-9-16)14-28-20(27)15-30-22-24-23-21(19-12-7-13-29-19)25(22)17-10-5-2-6-11-17/h1-13H,14-15H2