7-azanyl-9-phenacylsulfanyl-8-azaspiro[4.5]deca-7,9-diene-6,10-dicarbonitrile

Systemtic Name: 7-azanyl-9-phenacylsulfanyl-8-azaspiro[4.5]deca-7,9-diene-6,10-dicarbonitrile Openeye Name: 7-amino-9-phenacylsulfanyl-8-azaspiro[4.5]deca-7,9-diene-6,10-dicarbonitrile CAS Name: 7-amino-9-(phenacylthio)-8-azaspiro[4.5]deca-7,9-diene-6,10-dicarbonitrile IUPAC Name: 7-amino-9-phenacylsulfanyl-8-azaspiro[4.5]deca-7,9-diene-6,10-dicarbonitrile Traditional Name: 7-amino-9-(phenacylthio)-8-azaspiro[4.5]deca-7,9-diene-6,10-dicarbonitrile Formula: C19H18N4OS MolecularWeight: 350.43742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4OS/c20-10-14-17(22)23-18(15(11-21)19(14)8-4-5-9-19)25-12-16(24)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-9,12H2,(H2,22,23)