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

Systemtic Name: (6Z)-5-azanylidene-6-[[1-(4-chloranyl-3-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6Z)-6-[[1-(4-chloro-3-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6Z)-6-[[1-(4-chloro-3-nitrophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6Z)-6-[[1-(4-chloro-3-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6Z)-6-[[1-(4-chloro-3-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C20H17ClN6O3S MolecularWeight: 456.90538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN2C(=N)C(=CC3=C(N(C(=C3)C)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C)C(=O)N=C2S1

Isomeric SMILES

CCC1=NN2C(=N)/C(=C/C3=C(N(C(=C3)C)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C)/C(=O)N=C2S1

InChI

InChI=1S/C20H17ClN6O3S/c1-4-17-24-26-18(22)14(19(28)23-20(26)31-17)8-12-7-10(2)25(11(12)3)13-5-6-15(21)16(9-13)27(29)30/h5-9,22H,4H2,1-3H3/b14-8-,22-18?