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

Systemtic Name: 3-[[2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[2-(2,5-dimethoxyphenyl)imino-1,3-thiazinane-3-carbonyl]benzonitrile CAS Name: 3-[[2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-oxomethyl]benzonitrile IUPAC Name: 3-[2-(2,5-dimethoxyphenyl)imino-1,3-thiazinane-3-carbonyl]benzonitrile Traditional Name: 3-[2-(2,5-dimethoxyphenyl)imino-1,3-thiazinane-3-carbonyl]benzonitrile Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N=C2N(CCCS2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N=C2N(CCCS2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H19N3O3S/c1-25-16-7-8-18(26-2)17(12-16)22-20-23(9-4-10-27-20)19(24)15-6-3-5-14(11-15)13-21/h3,5-8,11-12H,4,9-10H2,1-2H3