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

CAS No.
CCD No.
CCD03687030
Formula
C11 H11 N3 O3 S
MolWeight
265.292

Basic Information

Product Name: 3-([(4-METHYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)SULFANYL]METHYL)BENZOIC ACID
English Synonyms: 3-([(4-METHYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)SULFANYL]METHYL)BENZOIC ACID
MDL Number.: MFCD17433180
H bond acceptor: 6
H bond donor: 2
Smile: Cn1c(=O)[nH]nc1SCc2cccc(c2)C(=O)O
InChi: InChI=1S/C11H11N3O3S/c1-14-10(17)12-13-11(14)18-6-7-3-2-4-8(5-7)9(15)16/h2-5H,6H2,1H3,(H,12,17)(H,15,16)
InChiKey: InChIKey=RRMAVMCGOQOXPB-UHFFFAOYSA-N

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