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

Systemtic Name: 2-[4-[[5-azanylidene-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-oxidanylidene-thiolan-2-ylidene]methyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-oxo-tetrahydrothiophen-2-ylidene]methyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-oxo-2-thiolanylidene]methyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-oxothiolan-2-ylidene]methyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-keto-tetrahydrothiophen-2-ylidene]methyl]-2-methoxy-phenoxy]acetonitrile Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3S2/c1-3-14-21-22-18(27-14)15-16(23)13(26-17(15)20)9-10-4-5-11(25-7-6-19)12(8-10)24-2/h4-5,8-9,15,20H,3,7H2,1-2H3