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

Systemtic Name: 2-[4-[[5-azanylidene-3-oxidanylidene-4-(1,3-thiazol-2-yl)thiolan-2-ylidene]methyl]-2-bromanyl-phenoxy]ethanenitrile Openeye Name: 2-[2-bromo-4-[(5-imino-3-oxo-4-thiazol-2-yl-tetrahydrothiophen-2-ylidene)methyl]phenoxy]acetonitrile CAS Name: 2-[2-bromo-4-[[5-imino-3-oxo-4-(2-thiazolyl)-2-thiolanylidene]methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-bromo-4-[[5-imino-3-oxo-4-(1,3-thiazol-2-yl)thiolan-2-ylidene]methyl]phenoxy]acetonitrile Traditional Name: 2-[2-bromo-4-[(5-imino-3-keto-4-thiazol-2-yl-tetrahydrothiophen-2-ylidene)methyl]phenoxy]acetonitrile Formula: C16H10BrN3O2S2 MolecularWeight: 420.3035

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C2C(=O)C(C(=N)S2)C3=NC=CS3)Br)OCC#N

Isomeric SMILES

C1=CC(=C(C=C1C=C2C(=O)C(C(=N)S2)C3=NC=CS3)Br)OCC#N

InChI

InChI=1S/C16H10BrN3O2S2/c17-10-7-9(1-2-11(10)22-5-3-18)8-12-14(21)13(15(19)24-12)16-20-4-6-23-16/h1-2,4,6-8,13,19H,5H2