2-[[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methylsulfanyl]ethanoate

Systemtic Name: 2-[[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methylsulfanyl]acetate CAS Name: 2-[[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methylthio]acetate IUPAC Name: 2-[[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methylsulfanyl]acetate Traditional Name: 2-[[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)benzyl]thio]acetate Formula: C10H8N4O2S-2 MolecularWeight: 248.26112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(=O)[O-])C2=NN=N[N-]2

Isomeric SMILES

C1=CC(=CC=C1CSCC(=O)[O-])C2=NN=N[N-]2

InChI

InChI=1S/C10H10N4O2S/c15-9(16)6-17-5-7-1-3-8(4-2-7)10-11-13-14-12-10/h1-4H,5-6H2,(H2,11,12,13,14,15,16)/p-2