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

Systemtic Name: 8-azanyl-10-[(4-nitrophenyl)methylsulfanyl]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Openeye Name: 8-amino-10-[(4-nitrophenyl)methylsulfanyl]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile CAS Name: 8-amino-10-[(4-nitrophenyl)methylthio]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile IUPAC Name: 8-amino-10-[(4-nitrophenyl)methylsulfanyl]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Traditional Name: 8-amino-10-[(4-nitrobenzyl)thio]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(=C(NC(=C2C#N)SCC3=CC=C(C=C3)[N+](=O)[O-])N)C#N

Isomeric SMILES

C1CCC2(CC1)C(=C(NC(=C2C#N)SCC3=CC=C(C=C3)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C19H19N5O2S/c20-10-15-17(22)23-18(16(11-21)19(15)8-2-1-3-9-19)27-12-13-4-6-14(7-5-13)24(25)26/h4-7,23H,1-3,8-9,12,22H2