4-[[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinane-3-carbonyl]benzonitrile CAS Name: 4-[[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-oxomethyl]benzonitrile IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinane-3-carbonyl]benzonitrile Traditional Name: 4-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinane-3-carbonyl]benzonitrile Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-25-17-9-8-16(12-18(17)26-2)22-20-23(10-3-11-27-20)19(24)15-6-4-14(13-21)5-7-15/h4-9,12H,3,10-11H2,1-2H3