3-[[3-(2-methylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]pentane-2,4-dione

Systemtic Name: 3-[[3-(2-methylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]pentane-2,4-dione Openeye Name: 3-[[3-(o-tolyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]pentane-2,4-dione CAS Name: 3-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]pentane-2,4-dione IUPAC Name: 3-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]pentane-2,4-dione Traditional Name: 3-[[4-keto-3-(o-tolyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]pentane-2,4-dione Formula: C22H19N3O3S MolecularWeight: 405.46956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC(C(=O)C)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC(C(=O)C)C(=O)C

InChI

InChI=1S/C22H19N3O3S/c1-12-8-4-7-11-17(12)25-21(28)19-18(15-9-5-6-10-16(15)23-19)24-22(25)29-20(13(2)26)14(3)27/h4-11,20,23H,1-3H3