3-[(1-oxidanylidenephthalazin-2-yl)methyl]benzenecarbothioamide

Systemtic Name: 3-[(1-oxidanylidenephthalazin-2-yl)methyl]benzenecarbothioamide Openeye Name: 3-[(1-oxophthalazin-2-yl)methyl]benzenecarbothioamide CAS Name: 3-[(1-oxo-2-phthalazinyl)methyl]benzenecarbothioamide IUPAC Name: 3-[(1-oxophthalazin-2-yl)methyl]benzenecarbothioamide Traditional Name: 3-[(1-ketophthalazin-2-yl)methyl]thiobenzamide Formula: C16H13N3OS MolecularWeight: 295.35892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CC3=CC=CC(=C3)C(=S)N

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CC3=CC=CC(=C3)C(=S)N

InChI

InChI=1S/C16H13N3OS/c17-15(21)12-6-3-4-11(8-12)10-19-16(20)14-7-2-1-5-13(14)9-18-19/h1-9H,10H2,(H2,17,21)