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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)OC(C)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)OC(C)C

InChI

InChI=1S/C16H21N3O3S/c1-10(2)21-13-7-5-6-12(8-13)15-17-16(19-18-15)23-9-14(20)22-11(3)4/h5-8,10-11H,9H2,1-4H3,(H,17,18,19)