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

Systemtic Name: 5-azanylidene-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[4-(2-methylpropoxy)phenyl]methylidene]thiolan-3-one Openeye Name: 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-2-[(4-isobutoxyphenyl)methylene]tetrahydrothiophen-3-one CAS Name: 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-2-[[4-(2-methylpropoxy)phenyl]methylidene]-3-thiolanone IUPAC Name: 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-2-[[4-(2-methylpropoxy)phenyl]methylidene]thiolan-3-one Traditional Name: 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-2-(4-isobutoxybenzylidene)tetrahydrothiophen-3-one Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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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)SC2=N

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S2/c1-4-15-21-22-19(26-15)16-17(23)14(25-18(16)20)9-12-5-7-13(8-6-12)24-10-11(2)3/h5-9,11,16,20H,4,10H2,1-3H3