3-methyl-2-[(4-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-methyl-2-[(4-nitrophenyl)methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-methyl-2-[(4-nitrobenzyl)thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C18H14N4O3S MolecularWeight: 366.39376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O3S/c1-21-17(23)16-15(13-4-2-3-5-14(13)19-16)20-18(21)26-10-11-6-8-12(9-7-11)22(24)25/h2-9,19H,10H2,1H3