N-[2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-3-yl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxamide

Systemtic Name: N-[2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-3-yl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxamide Openeye Name: N-[2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]-3-pyridyl]-6-thioxo-cyclohexa-1,3-diene-1-carboxamide CAS Name: N-[2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]-3-pyridinyl]-6-sulfanylidene-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: N-[2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-3-yl]-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide Traditional Name: N-[2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]-3-pyridyl]-6-thioxo-cyclohexa-1,3-diene-1-carboxamide Formula: C27H25N3OS MolecularWeight: 439.5719

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)CCC#CC3=C(C=CC=N3)NC(=O)C4=CC=CCC4=S

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)CCC#CC3=C(C=CC=N3)NC(=O)C4=CC=CCC4=S

InChI

InChI=1S/C27H25N3OS/c31-27(23-11-4-5-14-26(23)32)29-25-13-8-17-28-24(25)12-6-7-18-30-19-15-22(16-20-30)21-9-2-1-3-10-21/h1-5,8-11,13,15,17H,7,14,16,18-20H2,(H,29,31)