4-[[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)amino]methyl]benzenecarbonitrile Openeye Name: 4-[[(3-oxo-4H-1,4-benzothiazin-6-yl)amino]methyl]benzonitrile CAS Name: 4-[[(3-oxo-4H-1,4-benzothiazin-6-yl)amino]methyl]benzonitrile IUPAC Name: 4-[[(3-oxo-4H-1,4-benzothiazin-6-yl)amino]methyl]benzonitrile Traditional Name: 4-[[(3-keto-4H-1,4-benzothiazin-6-yl)amino]methyl]benzonitrile Formula: C16H13N3OS MolecularWeight: 295.35892

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(S1)C=CC(=C2)NCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C(=O)NC2=C(S1)C=CC(=C2)NCC3=CC=C(C=C3)C#N

InChI

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