8-azanyl-10-[(4-bromophenyl)methylsulfanyl]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile

Systemtic Name: 8-azanyl-10-[(4-bromophenyl)methylsulfanyl]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Openeye Name: 8-amino-10-[(4-bromophenyl)methylsulfanyl]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile CAS Name: 8-amino-10-[(4-bromophenyl)methylthio]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile IUPAC Name: 8-amino-10-[(4-bromophenyl)methylsulfanyl]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Traditional Name: 8-amino-10-[(4-bromobenzyl)thio]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Formula: C19H19BrN4S MolecularWeight: 415.34996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN4S/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(23)24-18/h4-7,24H,1-3,8-9,12,23H2