(6Z)-5-azanylidene-6-[[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxy-phenyl]methylidene]-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: (6Z)-5-azanylidene-6-[[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxy-phenyl]methylidene]-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6Z)-6-[[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxy-phenyl]methylene]-5-imino-2-(p-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6Z)-6-[[4-[2-[(4-chlorophenyl)thio]ethoxy]-3-methoxyphenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6Z)-6-[[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxyphenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6Z)-6-[4-[2-[(4-chlorophenyl)thio]ethoxy]-3-methoxy-benzylidene]-5-imino-2-(p-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C28H23ClN4O3S2 MolecularWeight: 563.09022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN3C(=N)C(=CC4=CC(=C(C=C4)OCCSC5=CC=C(C=C5)Cl)OC)C(=O)N=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN3C(=N)/C(=C/C4=CC(=C(C=C4)OCCSC5=CC=C(C=C5)Cl)OC)/C(=O)N=C3S2

InChI

InChI=1S/C28H23ClN4O3S2/c1-17-3-6-19(7-4-17)27-32-33-25(30)22(26(34)31-28(33)38-27)15-18-5-12-23(24(16-18)35-2)36-13-14-37-21-10-8-20(29)9-11-21/h3-12,15-16,30H,13-14H2,1-2H3/b22-15-,30-25?