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

Systemtic Name: (6Z)-5-azanylidene-2-ethyl-6-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6Z)-2-ethyl-5-imino-6-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6Z)-2-ethyl-5-imino-6-[[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6Z)-2-ethyl-5-imino-6-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6Z)-2-ethyl-5-imino-6-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C21H21N5O2S MolecularWeight: 407.48874

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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)OC)C)C(=O)N=C2S1

Isomeric SMILES

CCC1=NN2C(=N)/C(=C/C3=C(N(C(=C3)C)C4=CC=C(C=C4)OC)C)/C(=O)N=C2S1

InChI

InChI=1S/C21H21N5O2S/c1-5-18-24-26-19(22)17(20(27)23-21(26)29-18)11-14-10-12(2)25(13(14)3)15-6-8-16(28-4)9-7-15/h6-11,22H,5H2,1-4H3/b17-11-,22-19?