3-methylsulfanyl-[1,2,4]triazolo[3,4-b][3]benzazepin-11-one

Systemtic Name: 3-methylsulfanyl-[1,2,4]triazolo[3,4-b][3]benzazepin-11-one Openeye Name: 3-methylsulfanyl-[1,2,4]triazolo[3,4-b][3]benzazepin-11-one CAS Name: 3-(methylthio)-[1,2,4]triazolo[3,4-b][3]benzazepin-11-one IUPAC Name: 3-methylsulfanyl-[1,2,4]triazolo[3,4-b][3]benzazepin-11-one Traditional Name: 3-(methylthio)-[1,2,4]triazolo[3,4-b][3]benzazepin-11-one Formula: C12H9N3OS MolecularWeight: 243.28436

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C2N1C=CC3=CC=CC=C3C2=O

Isomeric SMILES

CSC1=NN=C2N1C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C12H9N3OS/c1-17-12-14-13-11-10(16)9-5-3-2-4-8(9)6-7-15(11)12/h2-7H,1H3