3-[[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 3-[[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[2-(2,5-dimethylphenyl)imino-1,3-thiazinane-3-carbonyl]benzonitrile CAS Name: 3-[[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-oxomethyl]benzonitrile IUPAC Name: 3-[2-(2,5-dimethylphenyl)imino-1,3-thiazinane-3-carbonyl]benzonitrile Traditional Name: 3-[2-(2,5-dimethylphenyl)imino-1,3-thiazinane-3-carbonyl]benzonitrile Formula: C20H19N3OS MolecularWeight: 349.44936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N=C2N(CCCS2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N=C2N(CCCS2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H19N3OS/c1-14-7-8-15(2)18(11-14)22-20-23(9-4-10-25-20)19(24)17-6-3-5-16(12-17)13-21/h3,5-8,11-12H,4,9-10H2,1-2H3