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

Systemtic Name: 3-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-5-methyl-benzenecarbonitrile Openeye Name: 3-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-5-methyl-benzonitrile CAS Name: 3-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-5-methylbenzonitrile IUPAC Name: 3-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-5-methylbenzonitrile Traditional Name: 3-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-5-methyl-benzonitrile Formula: C18H16N2OS MolecularWeight: 308.39744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2OS/c1-11-6-12(10-19)8-14(7-11)13-4-5-16-15(9-13)18(2,3)21-17(22)20-16/h4-9H,1-3H3,(H,20,22)