2-[6-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)pyridin-2-yl]ethanenitrile

Systemtic Name: 2-[6-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)pyridin-2-yl]ethanenitrile Openeye Name: 2-[6-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-2-pyridyl]acetonitrile CAS Name: 2-[6-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-2-pyridinyl]acetonitrile IUPAC Name: 2-[6-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)pyridin-2-yl]acetonitrile Traditional Name: 2-[6-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-2-pyridyl]acetonitrile Formula: C17H15N3OS MolecularWeight: 309.3855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3OS/c1-17(2)13-10-11(6-7-15(13)20-16(22)21-17)14-5-3-4-12(19-14)8-9-18/h3-7,10H,8H2,1-2H3,(H,20,22)