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

Systemtic Name: 2-[2-[(E)-[1-(4-methoxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]ethanenitrile Openeye Name: 2-[2-[(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]acetonitrile CAS Name: 2-[2-[(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetonitrile IUPAC Name: 2-[2-[(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetonitrile Traditional Name: 2-[2-[(E)-[4,6-diketo-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]acetonitrile Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3OCC#N)C(=O)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CC=C3OCC#N)/C(=O)NC2=S

InChI

InChI=1S/C20H15N3O4S/c1-26-15-8-6-14(7-9-15)23-19(25)16(18(24)22-20(23)28)12-13-4-2-3-5-17(13)27-11-10-21/h2-9,12H,11H2,1H3,(H,22,24,28)/b16-12+