2-[4-[[5-azanylidene-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-oxidanylidene-thiolan-2-ylidene]methyl]-2-ethoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[[5-azanylidene-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-oxidanylidene-thiolan-2-ylidene]methyl]-2-ethoxy-phenoxy]ethanenitrile Openeye Name: 2-[2-ethoxy-4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-oxo-tetrahydrothiophen-2-ylidene]methyl]phenoxy]acetonitrile CAS Name: 2-[2-ethoxy-4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-oxo-2-thiolanylidene]methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-ethoxy-4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-oxothiolan-2-ylidene]methyl]phenoxy]acetonitrile Traditional Name: 2-[2-ethoxy-4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-keto-tetrahydrothiophen-2-ylidene]methyl]phenoxy]acetonitrile Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3S2/c1-3-15-22-23-19(28-15)16-17(24)14(27-18(16)21)10-11-5-6-12(26-8-7-20)13(9-11)25-4-2/h5-6,9-10,16,21H,3-4,8H2,1-2H3