2-[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-bromanyl-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-bromanyl-phenoxy]ethanenitrile Openeye Name: 2-[2-bromo-4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]acetonitrile CAS Name: 2-[2-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetonitrile Traditional Name: 2-[2-bromo-4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]acetonitrile Formula: C13H8BrN3O3S MolecularWeight: 366.18992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C2C(=O)NC(=S)NC2=O)Br)OCC#N

Isomeric SMILES

C1=CC(=C(C=C1C=C2C(=O)NC(=S)NC2=O)Br)OCC#N

InChI

InChI=1S/C13H8BrN3O3S/c14-9-6-7(1-2-10(9)20-4-3-15)5-8-11(18)16-13(21)17-12(8)19/h1-2,5-6H,4H2,(H2,16,17,18,19,21)