4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanethioamide

Systemtic Name: 4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanethioamide Openeye Name: 4-(4-oxo-1,2,3-benzotriazin-3-yl)butanethioamide CAS Name: 4-(4-oxo-1,2,3-benzotriazin-3-yl)butanethioamide IUPAC Name: 4-(4-oxo-1,2,3-benzotriazin-3-yl)butanethioamide Traditional Name: 4-(4-keto-1,2,3-benzotriazin-3-yl)thiobutyramide Formula: C11H12N4OS MolecularWeight: 248.30418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCCC(=S)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCCC(=S)N

InChI

InChI=1S/C11H12N4OS/c12-10(17)6-3-7-15-11(16)8-4-1-2-5-9(8)13-14-15/h1-2,4-5H,3,6-7H2,(H2,12,17)