7-azanyl-6-cyano-9-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-8-azaspiro[4.5]deca-7,9-diene-10-carboxamide

Systemtic Name: 7-azanyl-6-cyano-9-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-8-azaspiro[4.5]deca-7,9-diene-10-carboxamide Openeye Name: 7-amino-6-cyano-9-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-8-azaspiro[4.5]deca-7,9-diene-10-carboxamide CAS Name: 7-amino-6-cyano-9-[[2-(4-methylphenyl)-2-oxoethyl]thio]-8-azaspiro[4.5]deca-7,9-diene-10-carboxamide IUPAC Name: 7-amino-6-cyano-9-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-8-azaspiro[4.5]deca-7,9-diene-10-carboxamide Traditional Name: 7-amino-6-cyano-9-[[2-keto-2-(p-tolyl)ethyl]thio]-8-azaspiro[4.5]deca-7,9-diene-10-carboxamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=C(C3(CCCC3)C(C(=N2)N)C#N)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=C(C3(CCCC3)C(C(=N2)N)C#N)C(=O)N

InChI

InChI=1S/C20H22N4O2S/c1-12-4-6-13(7-5-12)15(25)11-27-19-16(18(23)26)20(8-2-3-9-20)14(10-21)17(22)24-19/h4-7,14H,2-3,8-9,11H2,1H3,(H2,22,24)(H2,23,26)