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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C)CC2=CC=CC=C2

InChI

InChI=1S/C14H17N3O2S/c1-3-19-13(18)10-20-14-16-15-12(17(14)2)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3