3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N,N-diphenyl-propanamide

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N,N-diphenyl-propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]-N,N-diphenyl-propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-N,N-diphenylpropanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N,N-diphenylpropanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]-N,N-diphenyl-propionamide Formula: C30H25N5OS MolecularWeight: 503.6174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N)C#N

InChI

InChI=1S/C30H25N5OS/c1-2-21-13-15-22(16-14-21)28-25(19-31)29(33)34-30(26(28)20-32)37-18-17-27(36)35(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16H,2,17-18H2,1H3,(H2,33,34)