8-oxidanyl-3-(phenylmethyl)-10-sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile

Systemtic Name: 8-oxidanyl-3-(phenylmethyl)-10-sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Openeye Name: 3-benzyl-8-hydroxy-10-sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile CAS Name: 8-hydroxy-10-mercapto-3-(phenylmethyl)-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile IUPAC Name: 3-benzyl-8-hydroxy-10-sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Traditional Name: 3-benzyl-8-hydroxy-10-mercapto-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1CC3=CC=CC=C3)C(=C(NC(=C2C#N)S)O)C#N

Isomeric SMILES

C1CC2(CCC1CC3=CC=CC=C3)C(=C(NC(=C2C#N)S)O)C#N

InChI

InChI=1S/C19H19N3OS/c20-11-15-17(23)22-18(24)16(12-21)19(15)8-6-14(7-9-19)10-13-4-2-1-3-5-13/h1-5,14,22-24H,6-10H2