10-[(2-bromophenyl)methylsulfanyl]-8-oxidanylidene-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile

Systemtic Name: 10-[(2-bromophenyl)methylsulfanyl]-8-oxidanylidene-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Openeye Name: 10-[(2-bromophenyl)methylsulfanyl]-8-oxo-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile CAS Name: 10-[(2-bromophenyl)methylthio]-8-oxo-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile IUPAC Name: 10-[(2-bromophenyl)methylsulfanyl]-8-oxo-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Traditional Name: 10-[(2-bromobenzyl)thio]-8-keto-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC3=CC=CC=C3Br)C#N

Isomeric SMILES

C1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC3=CC=CC=C3Br)C#N

InChI

InChI=1S/C19H18BrN3OS/c20-16-7-3-2-6-13(16)12-25-18-15(11-22)19(8-4-1-5-9-19)14(10-21)17(24)23-18/h2-3,6-7,14H,1,4-5,8-9,12H2,(H,23,24)