3-{7-thia-2,4,5-triazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaen-3-ylsulfanyl}propanoic acid

CAS: 314245-25-5

Formula: C11H9N3O2S2

SMILES: OC(=O)CCSC1=NN=C2SC3=CC=CC=C3N12

IUPAC: 3-{7-thia-2,4,5-triazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaen-3-ylsulfanyl}propanoic acid

InChI: InChI=1S/C11H9N3O2S2/c15-9(16)5-6-17-10-12-13-11-14(10)7-3-1-2-4-8(7)18-11/h1-4H,5-6H2,(H,15,16)

Composition: C (47.30%), H (3.25%), N (15.04%), O (11.46%), S (22.95%)

Molar Mass: 279.33

Atom Count: 27

Heavy Atom Count: 18