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

Systemtic Name: ethyl 2-[[4-(4-cyclopropylnaphthalen-1-yl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-(4-cyclopropyl-1-naphthyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-cyclopropyl-1-naphthalenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-cyclopropylnaphthalen-1-yl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-cyclopropyl-1-naphthyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=C(C3=CC=CC=C32)C4CC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=C(C3=CC=CC=C32)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O2S/c1-2-30-23(29)16-31-25-27-26-24(18-8-4-3-5-9-18)28(25)22-15-14-19(17-12-13-17)20-10-6-7-11-21(20)22/h3-11,14-15,17H,2,12-13,16H2,1H3