4-(1-oxidanylidenephthalazin-2-yl)butanethioamide

Systemtic Name: 4-(1-oxidanylidenephthalazin-2-yl)butanethioamide Openeye Name: 4-(1-oxophthalazin-2-yl)butanethioamide CAS Name: 4-(1-oxo-2-phthalazinyl)butanethioamide IUPAC Name: 4-(1-oxophthalazin-2-yl)butanethioamide Traditional Name: 4-(1-ketophthalazin-2-yl)thiobutyramide Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CCCC(=S)N

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CCCC(=S)N

InChI

InChI=1S/C12H13N3OS/c13-11(17)6-3-7-15-12(16)10-5-2-1-4-9(10)8-14-15/h1-2,4-5,8H,3,6-7H2,(H2,13,17)