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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylthio)acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-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:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC=NC3=C2NC4=CC=CC=C43)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC=NC3=C2NC4=CC=CC=C43)Br

InChI

InChI=1S/C19H15BrN4OS/c1-11-6-7-15(13(20)8-11)23-16(25)9-26-19-18-17(21-10-22-19)12-4-2-3-5-14(12)24-18/h2-8,10,24H,9H2,1H3,(H,23,25)