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

Systemtic Name: 2-[2-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-6-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[2-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-6-methoxy-phenoxy]acetonitrile CAS Name: 2-[2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenoxy]acetonitrile IUPAC Name: 2-[2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenoxy]acetonitrile Traditional Name: 2-[2-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-6-methoxy-phenoxy]acetonitrile Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC#N)C=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

COC1=CC=CC(=C1OCC#N)C=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C14H11N3O4S/c1-20-10-4-2-3-8(11(10)21-6-5-15)7-9-12(18)16-14(22)17-13(9)19/h2-4,7H,6H2,1H3,(H2,16,17,18,19,22)