2-(2,3-DIHYDRO-1H-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDEN-4-YLSULFANYL)-BENZOIC ACID

CAS No.
554407-97-5
CCD No.
CCD00436258
Formula
C16 H12 N2 O2 S2
MolWeight
328.415

Basic Information

Product Name: 2-(2,3-DIHYDRO-1H-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDEN-4-YLSULFANYL)-BENZOIC ACID
CAS: 554407-97-5
English Synonyms: 2-(2,3-DIHYDRO-1H-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDEN-4-YLSULFANYL)-BENZOIC ACID
MDL Number.: MFCD03973224
H bond acceptor: 4
H bond donor: 1
Smile: c1ccc(c(c1)C(=O)O)Sc2c3c4c(sc3ncn2)CCC4
InChi: InChI=1S/C16H12N2O2S2/c19-16(20)10-4-1-2-6-12(10)22-15-13-9-5-3-7-11(9)21-14(13)17-8-18-15/h1-2,4,6,8H,3,5,7H2,(H,19,20)
InChiKey: InChIKey=QFTBUYQYYPLHDV-UHFFFAOYSA-N

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