3-(3-cyanophenyl)-N-[4-(2-dimethylaminoethylsulfanyl)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]-3-oxidanylidene-propanamide

Systemtic Name: 3-(3-cyanophenyl)-N-[4-(2-dimethylaminoethylsulfanyl)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]-3-oxidanylidene-propanamide Openeye Name: 3-(3-cyanophenyl)-N-[4-(2-dimethylaminoethylsulfanyl)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]-3-oxo-propanamide CAS Name: 3-(3-cyanophenyl)-N-[4-(2-dimethylaminoethylthio)-3-(2-phenylethynyl)-1-cyclohexa-1,3-dienyl]-3-oxopropanamide IUPAC Name: 3-(3-cyanophenyl)-N-[4-(2-dimethylaminoethylsulfanyl)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]-3-oxopropanamide Traditional Name: 3-(3-cyanophenyl)-N-[4-(2-dimethylaminoethylthio)-3-(2-phenylethynyl)cyclohexa-1,3-dien-1-yl]-3-keto-propionamide Formula: C28H27N3O2S MolecularWeight: 469.59788

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=C(C=C(CC1)NC(=O)CC(=O)C2=CC=CC(=C2)C#N)C#CC3=CC=CC=C3

Isomeric SMILES

CN(C)CCSC1=C(C=C(CC1)NC(=O)CC(=O)C2=CC=CC(=C2)C#N)C#CC3=CC=CC=C3

InChI

InChI=1S/C28H27N3O2S/c1-31(2)15-16-34-27-14-13-25(18-24(27)12-11-21-7-4-3-5-8-21)30-28(33)19-26(32)23-10-6-9-22(17-23)20-29/h3-10,17-18H,13-16,19H2,1-2H3,(H,30,33)