5-azanylidene-2-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)thiolan-3-one

Systemtic Name: 5-azanylidene-2-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)thiolan-3-one Openeye Name: 2-[(3-ethoxy-4-isobutoxy-phenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-tetrahydrothiophen-3-one CAS Name: 2-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-thiolanone IUPAC Name: 2-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-iminothiolan-3-one Traditional Name: 2-(3-ethoxy-4-isobutoxy-benzylidene)-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-tetrahydrothiophen-3-one Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)C2C(=O)C(=CC3=CC(=C(C=C3)OCC(C)C)OCC)SC2=N

Isomeric SMILES

CCC1=NN=C(S1)C2C(=O)C(=CC3=CC(=C(C=C3)OCC(C)C)OCC)SC2=N

InChI

InChI=1S/C21H25N3O3S2/c1-5-17-23-24-21(29-17)18-19(25)16(28-20(18)22)10-13-7-8-14(27-11-12(3)4)15(9-13)26-6-2/h7-10,12,18,22H,5-6,11H2,1-4H3