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

Systemtic Name: ethyl 2-[[4,5-bis(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[4,5-bis(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c1-2-25-19(24)15-26-20-22-21-18(13-16-9-5-3-6-10-16)23(20)14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3