3-[1-(5-methyl-1,3-oxathiolan-5-yl)ethylsulfanyl]-8-oxidanylidene-acenaphthyleno[1,2-b]pyrrole-9-carbonitrile

Systemtic Name: 3-[1-(5-methyl-1,3-oxathiolan-5-yl)ethylsulfanyl]-8-oxidanylidene-acenaphthyleno[1,2-b]pyrrole-9-carbonitrile Openeye Name: 3-[1-(5-methyl-1,3-oxathiolan-5-yl)ethylsulfanyl]-8-oxo-acenaphthyleno[1,2-b]pyrrole-9-carbonitrile CAS Name: 3-[1-(5-methyl-1,3-oxathiolan-5-yl)ethylthio]-8-oxo-9-acenaphthyleno[1,2-b]pyrrolecarbonitrile IUPAC Name: 3-[1-(5-methyl-1,3-oxathiolan-5-yl)ethylsulfanyl]-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carbonitrile Traditional Name: 8-keto-3-[1-(5-methyl-1,3-oxathiolan-5-yl)ethylthio]acenaphtho[1,2-b]pyrrole-9-carbonitrile Formula: C21H16N2O2S2 MolecularWeight: 392.49394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CSCO1)C)SC2=C3C=CC=C4C3=C(C=C2)C5=C(C(=O)N=C45)C#N

Isomeric SMILES

CC(C1(CSCO1)C)SC2=C3C=CC=C4C3=C(C=C2)C5=C(C(=O)N=C45)C#N

InChI

InChI=1S/C21H16N2O2S2/c1-11(21(2)9-26-10-25-21)27-16-7-6-13-17-12(16)4-3-5-14(17)19-18(13)15(8-22)20(24)23-19/h3-7,11H,9-10H2,1-2H3