N-(3-fluorophenyl)-2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide CAS Name: N-(3-fluorophenyl)-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: 2-[(3-allyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]-N-(3-fluorophenyl)acetamide Formula: C21H17FN4O2S MolecularWeight: 408.448683

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C21H17FN4O2S/c1-2-10-26-20(28)19-18(15-8-3-4-9-16(15)24-19)25-21(26)29-12-17(27)23-14-7-5-6-13(22)11-14/h2-9,11,24H,1,10,12H2,(H,23,27)