N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[4-(3-pyridylmethylsulfanyl)phenyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[4-(3-pyridinylmethylthio)phenyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[4-(3-pyridylmethylthio)phenyl]-4-pyrrol-1-yl-benzamide Formula: C23H19N3OS MolecularWeight: 385.48146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1=CN(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C23H19N3OS/c27-23(19-5-9-21(10-6-19)26-14-1-2-15-26)25-20-7-11-22(12-8-20)28-17-18-4-3-13-24-16-18/h1-16H,17H2,(H,25,27)