2-(2-azanylidene-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-3-(4-methoxyphenyl)-3-oxidanylidene-propanenitrile bromide

Systemtic Name: 2-(2-azanylidene-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-3-(4-methoxyphenyl)-3-oxidanylidene-propanenitrile bromide Openeye Name: 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-3-(4-methoxyphenyl)-3-oxo-propanenitrile bromide CAS Name: 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-3-(4-methoxyphenyl)-3-oxopropanenitrile bromide IUPAC Name: 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-3-(4-methoxyphenyl)-3-oxopropanenitrile bromide Traditional Name: 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-3-keto-3-(4-methoxyphenyl)propionitrile bromide Formula: C17H17BrN3O2S- MolecularWeight: 407.30478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(C#N)N2C3=C(CCCC3)SC2=N.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(C#N)N2C3=C(CCCC3)SC2=N.[Br-]

InChI

InChI=1S/C17H17N3O2S.BrH/c1-22-12-8-6-11(7-9-12)16(21)14(10-18)20-13-4-2-3-5-15(13)23-17(20)19;/h6-9,14,19H,2-5H2,1H3;1H/p-1