5-azanylidene-6-[[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]methylidene]-2-ethylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: 5-azanylidene-6-[[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]methylidene]-2-ethylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 6-[[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]methylene]-2-ethylsulfanyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 6-[[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-3-pyrrolyl]methylidene]-2-(ethylthio)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 6-[[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylidene]-2-ethylsulfanyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 6-[[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]methylene]-2-(ethylthio)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C21H20N6O3S2 MolecularWeight: 468.5519

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN2C(=N)C(=CC3=C(N(C(=C3)C)C4=C(C=CC(=C4)[N+](=O)[O-])C)C)C(=O)N=C2S1

Isomeric SMILES

CCSC1=NN2C(=N)C(=CC3=C(N(C(=C3)C)C4=C(C=CC(=C4)[N+](=O)[O-])C)C)C(=O)N=C2S1

InChI

InChI=1S/C21H20N6O3S2/c1-5-31-21-24-26-18(22)16(19(28)23-20(26)32-21)9-14-8-12(3)25(13(14)4)17-10-15(27(29)30)7-6-11(17)2/h6-10,22H,5H2,1-4H3