8-azanyl-10-[(6-chloranylpyridin-3-yl)methylsulfanyl]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile

Systemtic Name: 8-azanyl-10-[(6-chloranylpyridin-3-yl)methylsulfanyl]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Openeye Name: 8-amino-10-[(6-chloro-3-pyridyl)methylsulfanyl]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile CAS Name: 8-amino-10-[(6-chloro-3-pyridinyl)methylthio]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile IUPAC Name: 8-amino-10-[(6-chloropyridin-3-yl)methylsulfanyl]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Traditional Name: 8-amino-10-[(6-chloro-3-pyridyl)methylthio]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Formula: C18H18ClN5S MolecularWeight: 371.88702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(=C(NC(=C2C#N)SCC3=CN=C(C=C3)Cl)N)C#N

Isomeric SMILES

C1CCC2(CC1)C(=C(NC(=C2C#N)SCC3=CN=C(C=C3)Cl)N)C#N

InChI

InChI=1S/C18H18ClN5S/c19-15-5-4-12(10-23-15)11-25-17-14(9-21)18(6-2-1-3-7-18)13(8-20)16(22)24-17/h4-5,10,24H,1-3,6-7,11,22H2