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

Systemtic Name: methyl 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OC)CCC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OC)CCC2=CC=CC=C2

InChI

InChI=1S/C14H17N3O2S/c1-17-12(9-8-11-6-4-3-5-7-11)15-16-14(17)20-10-13(18)19-2/h3-7H,8-10H2,1-2H3