3-[3-(1H-1,2,4-TRIAZOL-5-YLSULFANYL)PROPOXY]BENZOIC ACID

CAS No.
CCD No.
CCD03681472
Formula
C12 H13 N3 O3 S
MolWeight
279.319

Basic Information

Product Name: 3-[3-(1H-1,2,4-TRIAZOL-5-YLSULFANYL)PROPOXY]BENZOIC ACID
English Synonyms: 3-[3-(1H-1,2,4-TRIAZOL-5-YLSULFANYL)PROPOXY]BENZOIC ACID
MDL Number.: MFCD17427171
H bond acceptor: 6
H bond donor: 2
Smile: c1cc(cc(c1)OCCCSc2[nH]ncn2)C(=O)O
InChi: InChI=1S/C12H13N3O3S/c16-11(17)9-3-1-4-10(7-9)18-5-2-6-19-12-13-8-14-15-12/h1,3-4,7-8H,2,5-6H2,(H,16,17)(H,13,14,15)
InChiKey: InChIKey=WTAWECODZCQXHF-UHFFFAOYSA-N

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