2,3-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide

Systemtic Name: 2,3-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide Openeye Name: 2,3-dimethyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide CAS Name: 2,3-dimethyl-N-[4-(3-pyridinylmethylthio)phenyl]-6-quinoxalinecarboxamide IUPAC Name: 2,3-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide Traditional Name: 2,3-dimethyl-N-[4-(3-pyridylmethylthio)phenyl]quinoxaline-6-carboxamide Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4)N=C1C

InChI

InChI=1S/C23H20N4OS/c1-15-16(2)26-22-12-18(5-10-21(22)25-15)23(28)27-19-6-8-20(9-7-19)29-14-17-4-3-11-24-13-17/h3-13H,14H2,1-2H3,(H,27,28)