(6Z)-5-azanylidene-6-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-2-(phenylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: (6Z)-5-azanylidene-6-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-2-(phenylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6Z)-2-benzyl-6-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6Z)-6-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-5-imino-2-(phenylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6Z)-2-benzyl-6-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6Z)-2-benzyl-6-[3-ethoxy-4-(2-phenoxyethoxy)benzylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C29H26N4O4S MolecularWeight: 526.60614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=N)N3C(=NC2=O)SC(=N3)CC4=CC=CC=C4)OCCOC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)CC4=CC=CC=C4)OCCOC5=CC=CC=C5

InChI

InChI=1S/C29H26N4O4S/c1-2-35-25-18-21(13-14-24(25)37-16-15-36-22-11-7-4-8-12-22)17-23-27(30)33-29(31-28(23)34)38-26(32-33)19-20-9-5-3-6-10-20/h3-14,17-18,30H,2,15-16,19H2,1H3/b23-17-,30-27?