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

Systemtic Name: naphthalen-2-yl 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-naphthyl 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid 2-naphthyl ester Formula: C25H18N4O2S MolecularWeight: 438.50102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC3=CC4=CC=CC=C4C=C3)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC3=CC4=CC=CC=C4C=C3)C5=CN=CC=C5

InChI

InChI=1S/C25H18N4O2S/c30-23(31-22-13-12-18-7-4-5-8-19(18)15-22)17-32-25-28-27-24(20-9-6-14-26-16-20)29(25)21-10-2-1-3-11-21/h1-16H,17H2