(3-cyano-3,3-diphenyl-propyl) 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (3-cyano-3,3-diphenyl-propyl) 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (3-cyano-3,3-diphenyl-propyl) 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid (3-cyano-3,3-diphenylpropyl) ester IUPAC Name: (3-cyano-3,3-diphenylpropyl) 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid (3-cyano-3,3-diphenyl-propyl) ester Formula: C26H24N4O2S2 MolecularWeight: 488.62436

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C26H24N4O2S2/c1-2-30-24(22-14-9-17-33-22)28-29-25(30)34-18-23(31)32-16-15-26(19-27,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-14,17H,2,15-16,18H2,1H3