6-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)pyridine-2-carbonitrile

Systemtic Name: 6-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)pyridine-2-carbonitrile Openeye Name: 6-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)pyridine-2-carbonitrile CAS Name: 6-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-2-pyridinecarbonitrile IUPAC Name: 6-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)pyridine-2-carbonitrile Traditional Name: 6-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)picolinonitrile Formula: C16H13N3OS MolecularWeight: 295.35892

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=CC(=N3)C#N)NC(=S)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=CC(=N3)C#N)NC(=S)O1)C

InChI

InChI=1S/C16H13N3OS/c1-16(2)12-8-10(6-7-14(12)19-15(21)20-16)13-5-3-4-11(9-17)18-13/h3-8H,1-2H3,(H,19,21)