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

CAS No.
CCD No.
CCD03687282
Formula
C12 H12 N4 O2 S
MolWeight
276.319

Basic Information

Product Name: 3-(2-[(4-METHYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)SULFANYL]ETHOXY)BENZONITRILE
English Synonyms: 3-(2-[(4-METHYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)SULFANYL]ETHOXY)BENZONITRILE
MDL Number.: MFCD17433435
H bond acceptor: 6
H bond donor: 1
Smile: Cn1c(=O)[nH]nc1SCCOc2cccc(c2)C#N
InChi: InChI=1S/C12H12N4O2S/c1-16-11(17)14-15-12(16)19-6-5-18-10-4-2-3-9(7-10)8-13/h2-4,7H,5-6H2,1H3,(H,14,17)
InChiKey: InChIKey=XPPQRMRVQRNQFA-UHFFFAOYSA-N

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