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

Systemtic Name: cyclohexyl 2-[[5-(naphthalen-1-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[5-(1-naphthyloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(1-naphthalenyloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[5-(naphthalen-1-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(1-naphthoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H27N3O3S/c31-26(33-22-14-5-2-6-15-22)19-34-27-29-28-25(30(27)21-12-3-1-4-13-21)18-32-24-17-9-11-20-10-7-8-16-23(20)24/h1,3-4,7-13,16-17,22H,2,5-6,14-15,18-19H2