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

Systemtic Name: 2-[[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-bromanyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2-bromo-4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]methyl]benzonitrile CAS Name: 2-[[2-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzonitrile Traditional Name: 2-[[2-bromo-4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]methyl]benzonitrile Formula: C19H12BrN3O3S MolecularWeight: 442.28588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)Br)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)Br)C#N

InChI

InChI=1S/C19H12BrN3O3S/c20-15-8-11(7-14-17(24)22-19(27)23-18(14)25)5-6-16(15)26-10-13-4-2-1-3-12(13)9-21/h1-8H,10H2,(H2,22,23,24,25,27)