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

Systemtic Name: N-(2-bromophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)ethanamide Openeye Name: N-(2-bromophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide CAS Name: N-(2-bromophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylthio)acetamide IUPAC Name: N-(2-bromophenyl)-2-(5H-pyrimido[5,4-b]indol-4-ylsulfanyl)acetamide Traditional Name: N-(2-bromophenyl)-2-(5H-pyrimid[5,4-b]indol-4-ylthio)acetamide Formula: C18H13BrN4OS MolecularWeight: 413.29102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=NC=N3)SCC(=O)NC4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=NC=N3)SCC(=O)NC4=CC=CC=C4Br

InChI

InChI=1S/C18H13BrN4OS/c19-12-6-2-4-8-14(12)22-15(24)9-25-18-17-16(20-10-21-18)11-5-1-3-7-13(11)23-17/h1-8,10,23H,9H2,(H,22,24)