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

Systemtic Name: 2-[4-[[5-azanylidene-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-oxidanylidene-thiolan-2-ylidene]methyl]-2-bromanyl-phenoxy]ethanenitrile Openeye Name: 2-[2-bromo-4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-oxo-tetrahydrothiophen-2-ylidene]methyl]phenoxy]acetonitrile CAS Name: 2-[2-bromo-4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-oxo-2-thiolanylidene]methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-bromo-4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-oxothiolan-2-ylidene]methyl]phenoxy]acetonitrile Traditional Name: 2-[2-bromo-4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-keto-tetrahydrothiophen-2-ylidene]methyl]phenoxy]acetonitrile Formula: C17H13BrN4O2S2 MolecularWeight: 449.34472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN4O2S2/c1-2-13-21-22-17(26-13)14-15(23)12(25-16(14)20)8-9-3-4-11(10(18)7-9)24-6-5-19/h3-4,7-8,14,20H,2,6H2,1H3