10-[(4-bromophenyl)methylsulfanyl]-8-oxidanylidene-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile

Systemtic Name: 10-[(4-bromophenyl)methylsulfanyl]-8-oxidanylidene-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Openeye Name: 10-[(4-bromophenyl)methylsulfanyl]-8-oxo-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile CAS Name: 10-[(4-bromophenyl)methylthio]-8-oxo-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile IUPAC Name: 10-[(4-bromophenyl)methylsulfanyl]-8-oxo-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Traditional Name: 10-[(4-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=C(C=C3)Br)C#N

Isomeric SMILES

C1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C19H18BrN3OS/c20-14-6-4-13(5-7-14)12-25-18-16(11-22)19(8-2-1-3-9-19)15(10-21)17(24)23-18/h4-7,15H,1-3,8-9,12H2,(H,23,24)