3-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]benzenecarbothioamide

Systemtic Name: 3-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]benzenecarbothioamide Openeye Name: 3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzenecarbothioamide CAS Name: 3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzenecarbothioamide IUPAC Name: 3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzenecarbothioamide Traditional Name: 3-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]thiobenzamide Formula: C15H12N4OS MolecularWeight: 296.34698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CC3=CC=CC(=C3)C(=S)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CC3=CC=CC(=C3)C(=S)N

InChI

InChI=1S/C15H12N4OS/c16-14(21)11-5-3-4-10(8-11)9-19-15(20)12-6-1-2-7-13(12)17-18-19/h1-8H,9H2,(H2,16,21)