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

Systemtic Name: methyl 2-[[4-(4-dimethylaminophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-(4-dimethylaminophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-dimethylaminophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(4-dimethylaminophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-dimethylaminophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2S/c1-10-15-16-14(21-9-13(19)20-4)18(10)12-7-5-11(6-8-12)17(2)3/h5-8H,9H2,1-4H3