7-azanyl-9-(phenylmethylsulfanyl)-8-azaspiro[4.5]deca-7,9-diene-6,10-dicarbonitrile

Systemtic Name: 7-azanyl-9-(phenylmethylsulfanyl)-8-azaspiro[4.5]deca-7,9-diene-6,10-dicarbonitrile Openeye Name: 7-amino-9-benzylsulfanyl-8-azaspiro[4.5]deca-7,9-diene-6,10-dicarbonitrile CAS Name: 7-amino-9-(phenylmethylthio)-8-azaspiro[4.5]deca-7,9-diene-6,10-dicarbonitrile IUPAC Name: 7-amino-9-benzylsulfanyl-8-azaspiro[4.5]deca-7,9-diene-6,10-dicarbonitrile Traditional Name: 7-amino-9-(benzylthio)-8-azaspiro[4.5]deca-7,9-diene-6,10-dicarbonitrile Formula: C18H18N4S MolecularWeight: 322.42732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C(C(=NC(=C2C#N)SCC3=CC=CC=C3)N)C#N

Isomeric SMILES

C1CCC2(C1)C(C(=NC(=C2C#N)SCC3=CC=CC=C3)N)C#N

InChI

InChI=1S/C18H18N4S/c19-10-14-16(21)22-17(23-12-13-6-2-1-3-7-13)15(11-20)18(14)8-4-5-9-18/h1-3,6-7,14H,4-5,8-9,12H2,(H2,21,22)