3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)quinoxalin-2-amine

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)quinoxalin-2-amine Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-N-(3-pyridylmethyl)quinoxalin-2-amine CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-N-(3-pyridinylmethyl)-2-quinoxalinamine IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)quinoxalin-2-amine Traditional Name: [3-[(5-bromo-2-methoxy-benzyl)thio]quinoxalin-2-yl]-(3-pyridylmethyl)amine Formula: C22H19BrN4OS MolecularWeight: 467.38146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2NCC4=CN=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2NCC4=CN=CC=C4

InChI

InChI=1S/C22H19BrN4OS/c1-28-20-9-8-17(23)11-16(20)14-29-22-21(25-13-15-5-4-10-24-12-15)26-18-6-2-3-7-19(18)27-22/h2-12H,13-14H2,1H3,(H,25,26)