N-[(2-bromophenyl)methyl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide

Systemtic Name: N-[(2-bromophenyl)methyl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide Openeye Name: N-[(2-bromophenyl)methyl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide CAS Name: N-[(2-bromophenyl)methyl]-2-(5H-pyrimido[5,4-b]indol-4-ylthio)acetamide IUPAC Name: N-[(2-bromophenyl)methyl]-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide Traditional Name: N-(2-bromobenzyl)-2-(5H-pyrimid[5,4-b]indol-4-ylthio)acetamide Formula: C19H15BrN4OS MolecularWeight: 427.3176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CSC2=NC=NC3=C2NC4=CC=CC=C43)Br

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CSC2=NC=NC3=C2NC4=CC=CC=C43)Br

InChI

InChI=1S/C19H15BrN4OS/c20-14-7-3-1-5-12(14)9-21-16(25)10-26-19-18-17(22-11-23-19)13-6-2-4-8-15(13)24-18/h1-8,11,24H,9-10H2,(H,21,25)