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

Systemtic Name: [1-chloranyl-3-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-yl] ethanoate Openeye Name: [1-(chloromethyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl] acetate CAS Name: acetic acid [1-chloro-3-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]propan-2-yl] ester IUPAC Name: [1-chloro-3-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-yl] acetate Traditional Name: acetic acid [1-(chloromethyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]ethyl] ester Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3)CCl

Isomeric SMILES

CC(=O)OC(CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3)CCl

InChI

InChI=1S/C19H18ClN3O2S/c1-14(24)25-17(12-20)13-26-19-22-21-18(15-8-4-2-5-9-15)23(19)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3