2-[2-(11H-indolo[3,2-c]isoquinolin-5-ylsulfanyl)ethanoyl]-5-methyl-4H-pyrazol-3-one

Systemtic Name: 2-[2-(11H-indolo[3,2-c]isoquinolin-5-ylsulfanyl)ethanoyl]-5-methyl-4H-pyrazol-3-one Openeye Name: 2-[2-(11H-indolo[3,2-c]isoquinolin-5-ylsulfanyl)acetyl]-5-methyl-4H-pyrazol-3-one CAS Name: 2-[2-(11H-indolo[3,2-c]isoquinolin-5-ylthio)-1-oxoethyl]-5-methyl-4H-pyrazol-3-one IUPAC Name: 2-[2-(11H-indolo[3,2-c]isoquinolin-5-ylsulfanyl)acetyl]-5-methyl-4H-pyrazol-3-one Traditional Name: 2-[2-(11H-indol[3,2-c]isoquinolin-5-ylthio)acetyl]-5-methyl-2-pyrazolin-3-one Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C(=O)CSC2=NC3=C(C4=CC=CC=C42)NC5=CC=CC=C53

Isomeric SMILES

CC1=NN(C(=O)C1)C(=O)CSC2=NC3=C(C4=CC=CC=C42)NC5=CC=CC=C53

InChI

InChI=1S/C21H16N4O2S/c1-12-10-17(26)25(24-12)18(27)11-28-21-14-7-3-2-6-13(14)19-20(23-21)15-8-4-5-9-16(15)22-19/h2-9,22H,10-11H2,1H3