8-azanyl-10-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile

Systemtic Name: 8-azanyl-10-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Openeye Name: 8-amino-10-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile CAS Name: 8-amino-10-[[2-(4-bromophenyl)-2-oxoethyl]thio]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile IUPAC Name: 8-amino-10-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Traditional Name: 8-amino-10-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Formula: C20H19BrN4OS MolecularWeight: 443.36006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(=C(NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)N)C#N

Isomeric SMILES

C1CCC2(CC1)C(=C(NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)N)C#N

InChI

InChI=1S/C20H19BrN4OS/c21-14-6-4-13(5-7-14)17(26)12-27-19-16(11-23)20(8-2-1-3-9-20)15(10-22)18(24)25-19/h4-7,25H,1-3,8-9,12,24H2