3-[[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 3-[[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[2-(2-isopropylphenyl)imino-1,3-thiazinane-3-carbonyl]benzonitrile CAS Name: 3-[oxo-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]methyl]benzonitrile IUPAC Name: 3-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinane-3-carbonyl]benzonitrile Traditional Name: 3-(2-o-cumenylimino-1,3-thiazinane-3-carbonyl)benzonitrile Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N=C2N(CCCS2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)C1=CC=CC=C1N=C2N(CCCS2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H21N3OS/c1-15(2)18-9-3-4-10-19(18)23-21-24(11-6-12-26-21)20(25)17-8-5-7-16(13-17)14-22/h3-5,7-10,13,15H,6,11-12H2,1-2H3