8-azanyl-10-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile

Systemtic Name: 8-azanyl-10-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Openeye Name: 8-amino-10-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile CAS Name: 8-amino-10-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile IUPAC Name: 8-amino-10-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Traditional Name: 8-amino-10-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CSC2=C(C3(CCCCC3)C(=C(N2)N)C#N)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CSC2=C(C3(CCCCC3)C(=C(N2)N)C#N)C#N

InChI

InChI=1S/C21H22N4O2S/c1-27-15-7-5-6-14(10-15)18(26)13-28-20-17(12-23)21(8-3-2-4-9-21)16(11-22)19(24)25-20/h5-7,10,25H,2-4,8-9,13,24H2,1H3