4-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxidanylidene-6H-1,3,4-thiadiazin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxidanylidene-6H-1,3,4-thiadiazin-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]benzonitrile CAS Name: 4-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]benzonitrile IUPAC Name: 4-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]benzonitrile Traditional Name: 4-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-keto-6H-1,3,4-thiadiazin-3-yl]methyl]benzonitrile Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=NN(C(=O)S1)CC2=CC=C(C=C2)C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1C(=NN(C(=O)S1)CC2=CC=C(C=C2)C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H21N3O3S/c1-4-19-20(16-9-10-17(26-2)18(11-16)27-3)23-24(21(25)28-19)13-15-7-5-14(12-22)6-8-15/h5-11,19H,4,13H2,1-3H3