5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)benzene-1,3-dicarbonitrile

Systemtic Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)benzene-1,3-dicarbonitrile Openeye Name: 5-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)benzene-1,3-dicarbonitrile CAS Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)benzene-1,3-dicarbonitrile IUPAC Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)benzene-1,3-dicarbonitrile Traditional Name: 5-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)isophthalonitrile Formula: C18H13N3OS MolecularWeight: 319.38032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3OS/c1-18(2)15-8-13(3-4-16(15)21-17(23)22-18)14-6-11(9-19)5-12(7-14)10-20/h3-8H,1-2H3,(H,21,23)