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

Systemtic Name: methyl 3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCCC(=O)OC)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCCC(=O)OC)C2=CC=C(C=C2)OC

InChI

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