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

Systemtic Name: 8-azanyl-10-(pyridin-4-ylmethylsulfanyl)-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Openeye Name: 8-amino-10-(4-pyridylmethylsulfanyl)-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile CAS Name: 8-amino-10-(pyridin-4-ylmethylthio)-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile IUPAC Name: 8-amino-10-(pyridin-4-ylmethylsulfanyl)-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Traditional Name: 8-amino-10-(4-pyridylmethylthio)-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Formula: C18H19N5S MolecularWeight: 337.44196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5S/c19-10-14-16(21)23-17(24-12-13-4-8-22-9-5-13)15(11-20)18(14)6-2-1-3-7-18/h4-5,8-9,23H,1-3,6-7,12,21H2