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

Systemtic Name: 2-[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-iodanyl-6-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-iodo-6-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-iodo-6-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-iodo-6-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-iodo-6-methoxy-phenoxy]acetonitrile Formula: C14H10IN3O4S MolecularWeight: 443.21637

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)I)OCC#N

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)I)OCC#N

InChI

InChI=1S/C14H10IN3O4S/c1-21-10-6-7(5-9(15)11(10)22-3-2-16)4-8-12(19)17-14(23)18-13(8)20/h4-6H,3H2,1H3,(H2,17,18,19,20,23)