propan-2-yl 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)OC(C)C)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)OC(C)C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H25N3O3S/c1-5-6-11-21-17(14-7-9-15(23-4)10-8-14)19-20-18(21)25-12-16(22)24-13(2)3/h7-10,13H,5-6,11-12H2,1-4H3