4,5,6-trimethyl-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-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]-4,5,6-trimethyl-nicotinonitrile Formula: C17H15N5OS MolecularWeight: 337.3989

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5OS/c1-10-11(2)14(8-18)16(19-12(10)3)24-9-22-17(23)13-6-4-5-7-15(13)20-21-22/h4-7H,9H2,1-3H3