2-[[3-(4-chlorophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[3-(4-chlorophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide CAS Name: 2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetamide IUPAC Name: 2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[3-(4-chlorophenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]acetamide Formula: C18H13ClN4O2S MolecularWeight: 384.83942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H13ClN4O2S/c19-10-5-7-11(8-6-10)23-17(25)16-15(22-18(23)26-9-14(20)24)12-3-1-2-4-13(12)21-16/h1-8,21H,9H2,(H2,20,24)