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

Systemtic Name: 4-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-5-methyl-2-sulfanyl-benzenecarbonitrile Openeye Name: 4-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-5-methyl-2-sulfanyl-benzonitrile CAS Name: 4-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-2-mercapto-5-methylbenzonitrile IUPAC Name: 4-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-5-methyl-2-sulfanylbenzonitrile Traditional Name: 4-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)-2-mercapto-5-methyl-benzonitrile Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C#N)S)C2=CC3=C(C=C2)NC(=O)OC3(C)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C#N)S)C2=CC3=C(C=C2)NC(=O)OC3(C)C

InChI

InChI=1S/C18H16N2O2S/c1-10-6-12(9-19)16(23)8-13(10)11-4-5-15-14(7-11)18(2,3)22-17(21)20-15/h4-8,23H,1-3H3,(H,20,21)