N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-2-carboxamide

Systemtic Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-2-carboxamide Openeye Name: N-[4-(3-pyridylmethylsulfanyl)phenyl]quinoxaline-2-carboxamide CAS Name: N-[4-(3-pyridinylmethylthio)phenyl]-2-quinoxalinecarboxamide IUPAC Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-2-carboxamide Traditional Name: N-[4-(3-pyridylmethylthio)phenyl]quinoxaline-2-carboxamide Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C21H16N4OS/c26-21(20-13-23-18-5-1-2-6-19(18)25-20)24-16-7-9-17(10-8-16)27-14-15-4-3-11-22-12-15/h1-13H,14H2,(H,24,26)