5-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-2-sulfanyl-benzenecarbonitrile

Systemtic Name: 5-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-2-sulfanyl-benzenecarbonitrile Openeye Name: 5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-2-sulfanyl-benzonitrile CAS Name: 5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-2-mercaptobenzonitrile IUPAC Name: 5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-2-sulfanylbenzonitrile Traditional Name: 5-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)-2-mercapto-benzonitrile Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O2S/c1-17(2)13-8-11(3-5-14(13)19-16(20)21-17)10-4-6-15(22)12(7-10)9-18/h3-8,22H,1-2H3,(H,19,20)