3-([(4-ETHYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)SULFANYL]METHYL)BENZONITRILE

pro_cas
pro_cdbregno
CCD03301622
pro_formula
C12 H12 N4 O S
pro_molWeight
260.32

basic_info

Product_Name: 3-([(4-ETHYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)SULFANYL]METHYL)BENZONITRILE
EnglishSynonyms: 3-([(4-ETHYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)SULFANYL]METHYL)BENZONITRILE
pro_mdlNumber: MFCD17021181
pro_acceptors: 5
pro_donors: 1
pro_smile: CCn1c(=O)[nH]nc1SCc2cccc(c2)C#N
InChi: InChI=1S/C12H12N4OS/c1-2-16-11(17)14-15-12(16)18-8-10-5-3-4-9(6-10)7-13/h3-6H,2,8H2,1H3,(H,14,17)
InChiKey: InChIKey=ATEOIZNGRWGJGR-UHFFFAOYSA-N

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