2-methylpropyl 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CSC1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)COC(=O)CSC1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

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