ethyl 2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(3-isopropoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-isopropoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C)C2=CC(=CC=C2)OC(C)C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C)C2=CC(=CC=C2)OC(C)C

InChI

InChI=1S/C16H21N3O3S/c1-5-21-14(20)10-23-16-18-17-15(19(16)4)12-7-6-8-13(9-12)22-11(2)3/h6-9,11H,5,10H2,1-4H3