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

Systemtic Name: 3-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)benzenecarbonitrile Openeye Name: 3-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)benzonitrile CAS Name: 3-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)benzonitrile IUPAC Name: 3-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)benzonitrile Traditional Name: 3-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)benzonitrile Formula: C17H14N2OS MolecularWeight: 294.37086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2OS/c1-17(2)14-9-13(6-7-15(14)19-16(21)20-17)12-5-3-4-11(8-12)10-18/h3-9H,1-2H3,(H,19,21)