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2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate

2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate

Systemtic Name:2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate
Openeye Name:2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate
CAS Name:benzoic acid 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]ethyl ester
IUPAC Name:2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate
Traditional Name:benzoic acid 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]ethyl ester
Formula: C23H19N3O2S
MolecularWeight: 401.48086
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCOC(=O)C4=CC=CC=C4


Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCOC(=O)C4=CC=CC=C4


InChI

InChI=1S/C23H19N3O2S/c27-22(19-12-6-2-7-13-19)28-16-17-29-23-25-24-21(18-10-4-1-5-11-18)26(23)20-14-8-3-9-15-20/h1-15H,16-17H2


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