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

Systemtic Name: 2-[[2-ethoxy-6-iodanyl-4-[[1-methyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2-ethoxy-6-iodo-4-[(1-methyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]methyl]benzonitrile CAS Name: 2-[[2-ethoxy-6-iodo-4-[(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-ethoxy-6-iodo-4-[(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzonitrile Traditional Name: 2-[[4-[(4,6-diketo-1-methyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-ethoxy-6-iodo-phenoxy]methyl]benzonitrile Formula: C22H18IN3O4S MolecularWeight: 547.36549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C)I)OCC3=CC=CC=C3C#N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C)I)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H18IN3O4S/c1-3-29-18-10-13(8-16-20(27)25-22(31)26(2)21(16)28)9-17(23)19(18)30-12-15-7-5-4-6-14(15)11-24/h4-10H,3,12H2,1-2H3,(H,25,27,31)