2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]ethyl benzoate

Systemtic Name: 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]thio]ethyl ester IUPAC Name: 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[4,6-bis(ethylamino)-s-triazin-2-yl]thio]ethyl ester Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=N1)SCCOC(=O)C2=CC=CC=C2)NCC

Isomeric SMILES

CCNC1=NC(=NC(=N1)SCCOC(=O)C2=CC=CC=C2)NCC

InChI

InChI=1S/C16H21N5O2S/c1-3-17-14-19-15(18-4-2)21-16(20-14)24-11-10-23-13(22)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H2,17,18,19,20,21)