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

Systemtic Name: 7-azanyl-9-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-cyano-8-azaspiro[4.5]deca-6,9-diene-10-carboxamide Openeye Name: 7-amino-9-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-cyano-8-azaspiro[4.5]deca-6,9-diene-10-carboxamide CAS Name: 7-amino-9-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-cyano-8-azaspiro[4.5]deca-6,9-diene-10-carboxamide IUPAC Name: 7-amino-9-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-cyano-8-azaspiro[4.5]deca-6,9-diene-10-carboxamide Traditional Name: 7-amino-9-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-cyano-8-azaspiro[4.5]deca-6,9-diene-10-carboxamide Formula: C19H19BrN4O2S MolecularWeight: 447.34876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN4O2S/c20-12-5-3-11(4-6-12)14(25)10-27-18-15(17(23)26)19(7-1-2-8-19)13(9-21)16(22)24-18/h3-6,24H,1-2,7-8,10,22H2,(H2,23,26)