4,6-dimethyl-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]-4,6-dimethyl-nicotinonitrile Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCN2C(=O)C3=CC=CC=C3N=N2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCN2C(=O)C3=CC=CC=C3N=N2)C

InChI

InChI=1S/C16H13N5OS/c1-10-7-11(2)18-15(13(10)8-17)23-9-21-16(22)12-5-3-4-6-14(12)19-20-21/h3-7H,9H2,1-2H3