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

Systemtic Name: ethyl 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C16H22N4O2S/c1-5-20-15(12-7-9-13(10-8-12)19(3)4)17-18-16(20)23-11-14(21)22-6-2/h7-10H,5-6,11H2,1-4H3