tert-butyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoate Openeye Name: tert-butyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetate CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetate Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetic acid tert-butyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-21(2,3)26-17(25)14-27-20-22-18(15-10-6-4-7-11-15)19(23-24-20)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3