([5-(4-NITROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID

CAS No.
790270-85-8
CCD No.
CCD00303388
Formula
C16 H12 N4 O4 S
MolWeight
356.361

Basic Information

Product Name: ([5-(4-NITROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
CAS: 790270-85-8
English Synonyms: ([5-(4-NITROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
MDL Number.: MFCD02255701
H bond acceptor: 8
H bond donor: 1
Smile: c1ccc(cc1)n2c(nnc2SCC(=O)O)c3ccc(cc3)[N+](=O)[O-]
InChi: InChI=1S/C16H12N4O4S/c21-14(22)10-25-16-18-17-15(19(16)12-4-2-1-3-5-12)11-6-8-13(9-7-11)20(23)24/h1-9H,10H2,(H,21,22)
InChiKey: InChIKey=PJISSMDVXZIZEW-UHFFFAOYSA-N

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