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

Systemtic Name: 4-[[5-(3,4-dimethoxyphenyl)-2-oxidanylidene-6H-1,3,4-thiadiazin-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-(3,4-dimethoxyphenyl)-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]benzonitrile CAS Name: 4-[[5-(3,4-dimethoxyphenyl)-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]benzonitrile IUPAC Name: 4-[[5-(3,4-dimethoxyphenyl)-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]benzonitrile Traditional Name: 4-[[5-(3,4-dimethoxyphenyl)-2-keto-6H-1,3,4-thiadiazin-3-yl]methyl]benzonitrile Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)SC2)CC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)SC2)CC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C19H17N3O3S/c1-24-17-8-7-15(9-18(17)25-2)16-12-26-19(23)22(21-16)11-14-5-3-13(10-20)4-6-14/h3-9H,11-12H2,1-2H3