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

Systemtic Name: methyl 2-[[4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC(=CC=C2)OC)SCC(=O)OC

Isomeric SMILES

CC1=NN=C(N1C2=CC(=CC=C2)OC)SCC(=O)OC

InChI

InChI=1S/C13H15N3O3S/c1-9-14-15-13(20-8-12(17)19-3)16(9)10-5-4-6-11(7-10)18-2/h4-7H,8H2,1-3H3